[1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol

C12H19ClN4O — CID 80832083

IUPAC[1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCNc1ncc(Cl)c(NC2(CO)CCCCC2)n1
InChIInChI=1S/C12H19ClN4O/c1-14-11-15-7-9(13)10(16-11)17-12(8-18)5-3-2-4-6-12/h7,18H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyMIAHIEWOQWGDIC-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.28
Rot. Bonds4

About [1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol

[1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol (PubChem CID 80832083) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is [1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
PubChem CID80832083
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name[1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCNc1ncc(Cl)c(NC2(CO)CCCCC2)n1
InChIInChI=1S/C12H19ClN4O/c1-14-11-15-7-9(13)10(16-11)17-12(8-18)5-3-2-4-6-12/h7,18H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyMIAHIEWOQWGDIC-UHFFFAOYSA-N
XLogP2.28
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol
CID 102757923
[1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80919691
[1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol
CID 116648405
[1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 79633029
[1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol
CID 138598108
[1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol
CID 81035955
[1-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 114072202
[1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol
CID 62552151
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80778757
[1-[(3-aminopyrazin-2-yl)amino]cyclohexyl]methanol
CID 102984251
[1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol
CID 105369688
[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol
CID 114785004

Frequently Asked Questions

What is the IUPAC name of [1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol (CID 80832083) is [1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol is CNc1ncc(Cl)c(NC2(CO)CCCCC2)n1.
What is the InChIKey of [1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is MIAHIEWOQWGDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-14-11-15-7-9(13)10(16-11)17-12(8-18)5-3-2-4-6-12/h7,18H,2-6,8H2,1H3,(H2,14,15,16,17).
What are the key properties of [1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
[1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 270.76 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 80832083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).