[(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol

C14H23N3O — CID 99799079

IUPAC[(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCC(C)c1nccc(N[C@@H]2CCCC[C@H]2CO)n1
InChIInChI=1S/C14H23N3O/c1-10(2)14-15-8-7-13(17-14)16-12-6-4-3-5-11(12)9-18/h7-8,10-12,18H,3-6,9H2,1-2H3,(H,15,16,17)/t11-,12+/m0/s1
InChIKeyYXTGIFNSLYBOLG-NWDGAFQWSA-N
MW249.36 g/mol
LogP2.56
Rot. Bonds4

About [(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol

[(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol (PubChem CID 99799079) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol
PubChem CID99799079
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCC(C)c1nccc(N[C@@H]2CCCC[C@H]2CO)n1
InChIInChI=1S/C14H23N3O/c1-10(2)14-15-8-7-13(17-14)16-12-6-4-3-5-11(12)9-18/h7-8,10-12,18H,3-6,9H2,1-2H3,(H,15,16,17)/t11-,12+/m0/s1
InChIKeyYXTGIFNSLYBOLG-NWDGAFQWSA-N
XLogP2.56
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1R,2R)-2-[(2-propan-2-ylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol (CID 99799079) is [(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol is CC(C)c1nccc(N[C@@H]2CCCC[C@H]2CO)n1.
What is the InChIKey of [(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The InChIKey is YXTGIFNSLYBOLG-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)14-15-8-7-13(17-14)16-12-6-4-3-5-11(12)9-18/h7-8,10-12,18H,3-6,9H2,1-2H3,(H,15,16,17)/t11-,12+/m0/s1.
What are the key properties of [(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol?
[(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol has a molecular weight of 249.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 99799079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).