5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
type: datablock
datablock name: 0S9
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has pdbx chem comp audit category: pdbx chem comp auditCategory
has pdbx chem comp descriptor category: pdbx chem comp descriptorCategory
has pdbx chem comp identifier category: pdbx chem comp identifierCategory

0S9
type: chem comp
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
chem comp.id: 0S9
chem comp.formula: C20 H20 Br N7 O
chem comp.formula weight: 454.323
chem comp.name: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
chem comp.pdbx ambiguous flag: N
chem comp.pdbx formal charge: 0
chem comp.pdbx ideal coordinates details: Corina
chem comp.pdbx ideal coordinates missing flag: N
chem comp.pdbx initial date: 2012-05-17
chem comp.pdbx model coordinates db code: 4F65
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2012-06-01
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: 0S9
chem comp.type: non-polymer

C26,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C26
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C26
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.272
chem comp atom.model cartn y: -3.625
chem comp atom.model cartn z: -9.911
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C26
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.539
chem comp atom.pdbx model cartn y ideal: -1.720
chem comp atom.pdbx model cartn z ideal: 0.236
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C25,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C25
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C25
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.292
chem comp atom.model cartn y: -3.099
chem comp atom.model cartn z: -9.142
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C25
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.095
chem comp atom.pdbx model cartn y ideal: -2.809
chem comp atom.pdbx model cartn z ideal: -0.492
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C27,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C27
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C27
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.496
chem comp atom.model cartn y: -3.965
chem comp atom.model cartn z: -11.232
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C27
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.660
chem comp atom.pdbx model cartn y ideal: -1.023
chem comp atom.pdbx model cartn z ideal: 1.043
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C24,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C24
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C24
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.543
chem comp atom.model cartn y: -2.917
chem comp atom.model cartn z: -9.700
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C24
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.770
chem comp atom.pdbx model cartn y ideal: -3.195
chem comp atom.pdbx model cartn z ideal: -0.417
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C28,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C28
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C28
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.752
chem comp atom.model cartn y: -3.780
chem comp atom.model cartn z: -11.782
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C28
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.336
chem comp atom.pdbx model cartn y ideal: -1.413
chem comp atom.pdbx model cartn z ideal: 1.122
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C3,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.566
chem comp atom.model cartn y: -4.329
chem comp atom.model cartn z: -9.903
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C3
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.944
chem comp atom.pdbx model cartn y ideal: 4.997
chem comp atom.pdbx model cartn z ideal: -1.016
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C17,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C17
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C17
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.661
chem comp atom.model cartn y: -1.958
chem comp atom.model cartn z: -13.169
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C17
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.093
chem comp atom.pdbx model cartn y ideal: -1.756
chem comp atom.pdbx model cartn z ideal: -0.350
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C11,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: 22.639
chem comp atom.model cartn y: -3.384
chem comp atom.model cartn z: -14.449
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C11
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.091
chem comp atom.pdbx model cartn y ideal: 1.130
chem comp atom.pdbx model cartn z ideal: 0.222
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C23,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C23
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C23
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.776
chem comp atom.model cartn y: -3.246
chem comp atom.model cartn z: -11.021
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C23
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.889
chem comp atom.pdbx model cartn y ideal: -2.494
chem comp atom.pdbx model cartn z ideal: 0.385
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C12,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: 21.812
chem comp atom.model cartn y: -2.327
chem comp atom.model cartn z: -14.739
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C12
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.892
chem comp atom.pdbx model cartn y ideal: -0.232
chem comp atom.pdbx model cartn z ideal: 0.104
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C2,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.663
chem comp atom.model cartn y: -4.063
chem comp atom.model cartn z: -8.847
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C2
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.126
chem comp atom.pdbx model cartn y ideal: 5.595
chem comp atom.pdbx model cartn z ideal: -0.522
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C18,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C18
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C18
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.410
chem comp atom.model cartn y: -1.396
chem comp atom.model cartn z: -13.062
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C18
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.189
chem comp atom.pdbx model cartn y ideal: -2.609
chem comp atom.pdbx model cartn z ideal: -0.507
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C4,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.823
chem comp atom.model cartn y: -5.024
chem comp atom.model cartn z: -10.830
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C4
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.328
chem comp atom.pdbx model cartn y ideal: 4.522
chem comp atom.pdbx model cartn z ideal: 0.093
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C16,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C16
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C16
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.373
chem comp atom.model cartn y: -1.111
chem comp atom.model cartn z: -14.055
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C16
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.031
chem comp atom.pdbx model cartn y ideal: -2.523
chem comp atom.pdbx model cartn z ideal: -0.310
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C13,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.531
chem comp atom.model cartn y: -2.350
chem comp atom.model cartn z: -14.189
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C13
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.586
chem comp atom.pdbx model cartn y ideal: -0.704
chem comp atom.pdbx model cartn z ideal: -0.043
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C9,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C9
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.955
chem comp atom.model cartn y: -4.407
chem comp atom.model cartn z: -13.254
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C9
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.816
chem comp atom.pdbx model cartn y ideal: 1.467
chem comp atom.pdbx model cartn z ideal: 0.057
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C1,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.941
chem comp atom.model cartn y: -3.342
chem comp atom.model cartn z: -7.591
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C1
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.192
chem comp atom.pdbx model cartn y ideal: 6.289
chem comp atom.pdbx model cartn z ideal: -1.329
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C22,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C22
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C22
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.135
chem comp atom.model cartn y: -3.042
chem comp atom.model cartn z: -11.611
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C22
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.446
chem comp atom.pdbx model cartn y ideal: -2.920
chem comp atom.pdbx model cartn z ideal: 0.471
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C21,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C21
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C21
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.178
chem comp atom.model cartn y: -1.705
chem comp atom.model cartn z: -12.306
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C21
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.632
chem comp atom.pdbx model cartn y ideal: -2.183
chem comp atom.pdbx model cartn z ideal: -0.593
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C7,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.148
chem comp atom.model cartn y: -5.604
chem comp atom.model cartn z: -12.155
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C7
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.987
chem comp atom.pdbx model cartn y ideal: 3.789
chem comp atom.pdbx model cartn z ideal: 0.150
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N10,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: N10
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: N10
chem comp atom.charge: 0
chem comp atom.model cartn x: 22.222
chem comp atom.model cartn y: -4.423
chem comp atom.model cartn z: -13.708
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N10
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.045
chem comp atom.pdbx model cartn y ideal: 1.943
chem comp atom.pdbx model cartn z ideal: 0.192
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N6,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: N6
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: N6
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.443
chem comp atom.model cartn y: -4.554
chem comp atom.model cartn z: -9.108
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N6
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.110
chem comp atom.pdbx model cartn y ideal: 5.427
chem comp atom.pdbx model cartn z ideal: 0.769
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N14,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: N14
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: N14
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.097
chem comp atom.model cartn y: -3.393
chem comp atom.model cartn z: -13.464
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N14
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.583
chem comp atom.pdbx model cartn y ideal: 0.168
chem comp atom.pdbx model cartn z ideal: -0.064
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N20,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: N20
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: N20
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.608
chem comp atom.model cartn y: -0.082
chem comp atom.model cartn z: -14.446
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N20
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.645
chem comp atom.pdbx model cartn y ideal: -3.819
chem comp atom.pdbx model cartn z ideal: -0.438
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N19,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: N19
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: N19
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.428
chem comp atom.model cartn y: -0.302
chem comp atom.model cartn z: -13.864
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N19
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.750
chem comp atom.pdbx model cartn y ideal: -3.840
chem comp atom.pdbx model cartn z ideal: -0.564
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N15,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: N15
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: N15
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.679
chem comp atom.model cartn y: -1.261
chem comp atom.model cartn z: -14.419
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N15
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.338
chem comp atom.pdbx model cartn y ideal: -2.063
chem comp atom.pdbx model cartn z ideal: -0.164
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N8,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: N8
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: N8
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.569
chem comp atom.model cartn y: -5.536
chem comp atom.model cartn z: -12.506
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N8
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.749
chem comp atom.pdbx model cartn y ideal: 2.349
chem comp atom.pdbx model cartn z ideal: 0.030
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

O5,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: O5
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: O5
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.556
chem comp atom.model cartn y: -5.168
chem comp atom.model cartn z: -10.352
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: O5
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.117
chem comp atom.pdbx model cartn y ideal: 4.838
chem comp atom.pdbx model cartn z ideal: 1.129
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

BR1,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: BR1
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: BR1
chem comp atom.charge: 0
chem comp atom.model cartn x: 22.487
chem comp atom.model cartn y: -0.931
chem comp atom.model cartn z: -15.833
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: BR1
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.355
chem comp atom.pdbx model cartn y ideal: -1.429
chem comp atom.pdbx model cartn z ideal: 0.141
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: BR

H1,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.294
chem comp atom.model cartn y: -3.771
chem comp atom.model cartn z: -9.478
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H1
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 8.574
chem comp atom.pdbx model cartn y ideal: -1.418
chem comp atom.pdbx model cartn z ideal: 0.177
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.113
chem comp atom.model cartn y: -2.832
chem comp atom.model cartn z: -8.111
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H2
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.783
chem comp atom.pdbx model cartn y ideal: -3.357
chem comp atom.pdbx model cartn z ideal: -1.118
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.695
chem comp atom.model cartn y: -4.373
chem comp atom.model cartn z: -11.831
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H3
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.007
chem comp atom.pdbx model cartn y ideal: -0.172
chem comp atom.pdbx model cartn z ideal: 1.611
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.345
chem comp atom.model cartn y: -2.514
chem comp atom.model cartn z: -9.099
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H4
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.423
chem comp atom.pdbx model cartn y ideal: -4.045
chem comp atom.pdbx model cartn z ideal: -0.986
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.934
chem comp atom.model cartn y: -4.054
chem comp atom.model cartn z: -12.811
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H5
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.649
chem comp atom.pdbx model cartn y ideal: -0.869
chem comp atom.pdbx model cartn z ideal: 1.753
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.607
chem comp atom.model cartn y: -4.049
chem comp atom.model cartn z: -9.967
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H6
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.608
chem comp atom.pdbx model cartn y ideal: 4.936
chem comp atom.pdbx model cartn z ideal: -2.041
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.023
chem comp atom.model cartn y: -2.852
chem comp atom.model cartn z: -12.683
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H7
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.131
chem comp atom.pdbx model cartn y ideal: -0.679
chem comp atom.pdbx model cartn z ideal: -0.270
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 23.651
chem comp atom.model cartn y: -3.379
chem comp atom.model cartn z: -14.827
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H8
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.089
chem comp atom.pdbx model cartn y ideal: 1.529
chem comp atom.pdbx model cartn z ideal: 0.332
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.026
chem comp atom.model cartn y: -3.300
chem comp atom.model cartn z: -6.981
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H9
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.952
chem comp atom.pdbx model cartn y ideal: 7.349
chem comp atom.pdbx model cartn z ideal: -1.413
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.730
chem comp atom.model cartn y: -3.868
chem comp atom.model cartn z: -7.033
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H10
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.156
chem comp atom.pdbx model cartn y ideal: 6.174
chem comp atom.pdbx model cartn z ideal: -0.833
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.275
chem comp atom.model cartn y: -2.320
chem comp atom.model cartn z: -7.821
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H11
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.241
chem comp atom.pdbx model cartn y ideal: 5.847
chem comp atom.pdbx model cartn z ideal: -2.324
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.345
chem comp atom.model cartn y: -3.841
chem comp atom.model cartn z: -12.337
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H12
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.374
chem comp atom.pdbx model cartn y ideal: -3.995
chem comp atom.pdbx model cartn z ideal: 0.304
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H13,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H13
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.890
chem comp atom.model cartn y: -3.066
chem comp atom.model cartn z: -10.812
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H13
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.055
chem comp atom.pdbx model cartn y ideal: -2.679
chem comp atom.pdbx model cartn z ideal: 1.460
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.051
chem comp atom.model cartn y: -0.926
chem comp atom.model cartn z: -11.540
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H14
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.023
chem comp atom.pdbx model cartn y ideal: -2.424
chem comp atom.pdbx model cartn z ideal: -1.582
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H15,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H15
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.334
chem comp atom.model cartn y: -1.667
chem comp atom.model cartn z: -13.011
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H15
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.704
chem comp atom.pdbx model cartn y ideal: -1.108
chem comp atom.pdbx model cartn z ideal: -0.426
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H16,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H16
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.577
chem comp atom.model cartn y: -5.058
chem comp atom.model cartn z: -12.920
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H16
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.478
chem comp atom.pdbx model cartn y ideal: 3.999
chem comp atom.pdbx model cartn z ideal: 1.101
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H17,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H17
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H17
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.843
chem comp atom.model cartn y: -6.661
chem comp atom.model cartn z: -12.154
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H17
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.625
chem comp atom.pdbx model cartn y ideal: 4.122
chem comp atom.pdbx model cartn z ideal: -0.669
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H18,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H18
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H18
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.864
chem comp atom.model cartn y: 0.680
chem comp atom.model cartn z: -15.041
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H18
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.231
chem comp atom.pdbx model cartn y ideal: -4.592
chem comp atom.pdbx model cartn z ideal: -0.445
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H19,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H19
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H19
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.082
chem comp atom.model cartn y: -0.492
chem comp atom.model cartn z: -14.916
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H19
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.075
chem comp atom.pdbx model cartn y ideal: -2.694
chem comp atom.pdbx model cartn z ideal: -0.147
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H20,0S9
type: chem comp atom
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
chem comp atom.atom id: H20
chem comp atom.comp id: 0S9
chem comp atom.alt atom id: H20
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.794
chem comp atom.model cartn y: -6.351
chem comp atom.model cartn z: -13.040
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H20
chem comp atom.pdbx component comp id: 0S9
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.155
chem comp atom.pdbx model cartn y ideal: 2.013
chem comp atom.pdbx model cartn z ideal: -0.068
chem comp atom.pdbx ordinal: 49
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

BR1,C12,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: BR1
chem comp bond.atom id 2: C12
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,C11,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C11
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C12,C13,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C13
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,N10,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: N10
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N20,C16,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: N20
chem comp bond.atom id 2: C16
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N20,N19,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: N20
chem comp bond.atom id 2: N19
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N15,C13,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: N15
chem comp bond.atom id 2: C13
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N15,C16,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: N15
chem comp bond.atom id 2: C16
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,N14,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: N14
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C16,C17,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C17
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

N19,C18,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: N19
chem comp bond.atom id 2: C18
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

N10,C9,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: N10
chem comp bond.atom id 2: C9
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

N14,C9,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: N14
chem comp bond.atom id 2: C9
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,N8,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: N8
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C17,C18,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C18
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,C21,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C21
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N8,C7,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: N8
chem comp bond.atom id 2: C7
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,C22,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C22
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,C4,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C4
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C28,C27,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: C27
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C28,C23,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: C23
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C22,C23,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C23
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C27,C26,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C26
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C23,C24,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C24
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C4,O5,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: O5
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4,C3,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C3
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

O5,N6,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: O5
chem comp bond.atom id 2: N6
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C26,C25,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C25
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C3,C2,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C2
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C24,C25,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C25
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N6,C2,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: N6
chem comp bond.atom id 2: C2
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C2,C1,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C1
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C26,H1,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: H1
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C25,H2,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: H2
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 34
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C27,H3,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: H3
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C24,H4,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: H4
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C28,H5,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: H5
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H6,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H6
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C17,H7,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H7
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,H8,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H8
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H9,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H9
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H10,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H10
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H11,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H11
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 43
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C22,H12,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H12
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 44
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C22,H13,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H13
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 45
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,H14,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H14
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 46
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,H15,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H15
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 47
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,H16,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H16
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 48
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,H17,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H17
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 49
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N20,H18,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: N20
chem comp bond.atom id 2: H18
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 50
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N15,H19,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: N15
chem comp bond.atom id 2: H19
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 51
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N8,H20,0S9
type: chem comp bond
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/0S9/chem_comp_atom/,
chem comp bond.atom id 1: N8
chem comp bond.atom id 2: H20
chem comp bond.comp id: 0S9
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 52
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,0S9,2012-05-17
type: pdbx chem comp audit
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: 0S9
pdbx chem comp audit.date: 2012-05-17
pdbx chem comp audit.processing site: RCSB

0S9,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 0S9
pdbx chem comp descriptor.program: ACDLabs
pdbx chem comp descriptor.program version: 12.01
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: Brc1c(nc(nc1)NCc2onc(c2)C)Nc3cc(nn3)CCc4ccccc4

0S9,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 0S9
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C20H20BrN7O/c1-13-9-16(29-28-13)11-22-20-23-12-17(21)19(25-20)24-18-10-15(26-27-18)8-7-14-5-3-2-4-6-14/h2-6,9-10,12H,7-8,11H2,1H3,(H3,22,23,24,25,26,27)

0S9,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 0S9
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: BUSNTKOLFQPMBH-UHFFFAOYSA-N

0S9,CACTVS,3.370,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 0S9
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.370
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: Cc1cc(CNc2ncc(Br)c(Nc3[nH]nc(CCc4ccccc4)c3)n2)on1

0S9,CACTVS,3.370,SMILES
type: pdbx chem comp descriptor
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 0S9
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.370
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: Cc1cc(CNc2ncc(Br)c(Nc3[nH]nc(CCc4ccccc4)c3)n2)on1

0S9,OpenEye OEToolkits,1.7.6,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 0S9
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.7.6
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCc4ccccc4)Br

0S9,OpenEye OEToolkits,1.7.6,SMILES
type: pdbx chem comp descriptor
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 0S9
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.7.6
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCc4ccccc4)Br

0S9,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 0S9
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 12.01
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine

0S9,OpenEye OEToolkits,1.7.6,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 0S9
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 1.7.6
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 5-bromanyl-N2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N4-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine