2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine
4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
Molecular Identity
2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine
4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID: 9902638
2D Structure
Properties
C18H19ClN4O
Molecular Formula
342.80
Molecular Weight
g/mol
342.1247
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
84.1
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
460
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(CCC1NC2=NC(=NC=C2C#CC3=CC=C(C=C3)Cl)N)OIsomeric SMILES
SMILES: C1CC(CCC1NC2=NC(=NC=C2C#CC3=CC=C(C=C3)Cl)N)OSynonyms(20)
2-amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidineKP544 cpdRefChem:909566393856-87-6KP-544KP 5442-Amino-5-(4-chlorophenylethynyl)-4-(trans-4-hydroxycyclohexylamino)pyrimidineKP 544 (neuroprotectant)CXB909UNII-44CE82289R44CE82289R4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-olCyclohexanol, 4-[[2-amino-5-[(4-chlorophenyl)ethynyl]-4-pyrimidinyl]amino]-, trans- (9CI)SCHEMBL722277orb1703271
Data from PubChem (NCBI)
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Molecular Structure
2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine
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Drug Network
Trials and conditions connected to 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine
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