4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one

C11H16N2O2 — CID 63613256

IUPAC4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCC1CCCC(c2nc(O)cc(=O)[nH]2)C1
InChIInChI=1S/C11H16N2O2/c1-7-3-2-4-8(5-7)11-12-9(14)6-10(15)13-11/h6-8H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyVSJRSSSIIFGAEZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.77
Rot. Bonds1

About 4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one

4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 63613256) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID63613256
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCC1CCCC(c2nc(O)cc(=O)[nH]2)C1
InChIInChI=1S/C11H16N2O2/c1-7-3-2-4-8(5-7)11-12-9(14)6-10(15)13-11/h6-8H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyVSJRSSSIIFGAEZ-UHFFFAOYSA-N
XLogP1.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one 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-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one (CID 63613256) is 4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one is CC1CCCC(c2nc(O)cc(=O)[nH]2)C1.
What is the InChIKey of 4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is VSJRSSSIIFGAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-3-2-4-8(5-7)11-12-9(14)6-10(15)13-11/h6-8H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63613256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).