[4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol

C13H20N2O2 — CID 83184911

IUPAC[4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol
SMILESCc1nc(OC2CCC(C)CC2)ncc1CO
InChIInChI=1S/C13H20N2O2/c1-9-3-5-12(6-4-9)17-13-14-7-11(8-16)10(2)15-13/h7,9,12,16H,3-6,8H2,1-2H3
InChIKeyOCRPVGVBSPWITQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.23
Rot. Bonds3

About [4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol

[4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol (PubChem CID 83184911) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol
PubChem CID83184911
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol
SMILESCc1nc(OC2CCC(C)CC2)ncc1CO
InChIInChI=1S/C13H20N2O2/c1-9-3-5-12(6-4-9)17-13-14-7-11(8-16)10(2)15-13/h7,9,12,16H,3-6,8H2,1-2H3
InChIKeyOCRPVGVBSPWITQ-UHFFFAOYSA-N
XLogP2.23
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]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 [4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol?
The IUPAC name of [4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol (CID 83184911) is [4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol?
The canonical SMILES for [4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol is Cc1nc(OC2CCC(C)CC2)ncc1CO.
What is the InChIKey of [4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol?
The InChIKey is OCRPVGVBSPWITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-3-5-12(6-4-9)17-13-14-7-11(8-16)10(2)15-13/h7,9,12,16H,3-6,8H2,1-2H3.
What are the key properties of [4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol?
[4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-methylcyclohexyl)oxypyrimidin-5-yl]methanol is sourced from PubChem (CID 83184911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).