Cc-90005
2-[[4-(2,2-difluoropropoxy)pyrimidin-5-yl]methylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile
Molecular Identity
Cc-90005
2-[[4-(2,2-difluoropropoxy)pyrimidin-5-yl]methylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile
PubChem CID: 118162109
2D Structure
Properties
C21H27F2N7O2
Molecular Formula
447.50
Molecular Weight
g/mol
447.2194
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
129
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
11
H-Bond Acceptors
659
Complexity
SMILES
Canonical SMILES
SMILES: CC1(CC(CCC1O)NC2=NC(=NC=C2C#N)NCC3=CN=CN=C3OCC(C)(F)F)CIsomeric SMILES
SMILES: CC1(C[C@@H](CC[C@@H]1O)NC2=NC(=NC=C2C#N)NCC3=CN=CN=C3OCC(C)(F)F)CSynonyms(20)
CC-900051799574-70-1GEZ43HM6NW5-Pyrimidinecarbonitrile, 2-(((4-(2,2-difluoropropoxy)-5-pyrimidinyl)methyl)amino)-4-(((1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl)amino)-CC90005compound 57 [PMID: 34355886]2-[[4-(2,2-difluoropropoxy)pyrimidin-5-yl]methylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrilecompound 57 (PMID: 34355886)2-((4-(2,2-difluoropropoxy)pyrimidin-5-yl)methylamino)-4-(((1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl)amino)pyrimidine-5-carbonitrileRefChem:124083UNII-GEZ43HM6NWCHEMBL48736472-(((4-(2,2-difluoropropoxy)pyrimidin-5-yl)methyl)amino)-4-(((1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl)amino)pyrimidine-5-carbonitrileorb1694274SCHEMBL16822024
Data from PubChem (NCBI)
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