Molecules/((2-Bromo-4-methylphenyl){6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-YL}amino)acetonitrile
((2-Bromo-4-methylphenyl){6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-YL}amino)acetonitrile
2-(2-bromo-N-[6-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]anilino]pyrimidin-4-yl]-4-methylanilino)acetonitrile
Molecular Identity
((2-Bromo-4-methylphenyl){6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-YL}amino)acetonitrile
2-(2-bromo-N-[6-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]anilino]pyrimidin-4-yl]-4-methylanilino)acetonitrile
PubChem CID: 445956
2D Structure
Properties
C24H27BrN6O2
Molecular Formula
511.40
Molecular Weight
g/mol
510.1379
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
97.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
623
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(C=C1)N(CC#N)C2=NC=NC(=C2)NC3=CC=C(C=C3)OCC(CN(C)C)O)BrIsomeric SMILES
SMILES: CC1=CC(=C(C=C1)N(CC#N)C2=NC=NC(=C2)NC3=CC=C(C=C3)OC[C@H](CN(C)C)O)BrSynonyms(4)
((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE[(2-bromo-4-methylphenyl){6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrileMFQQ27463118
Data from PubChem (NCBI)
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Molecular Structure
((2-Bromo-4-methylphenyl){6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-YL}amino)acetonitrile
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Drug Network
Trials and conditions connected to ((2-Bromo-4-methylphenyl){6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-YL}amino)acetonitrile
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