3-cyclohexyl-5-methylpyrimidin-4-one

C11H16N2O — CID 126857606

IUPAC3-cyclohexyl-5-methylpyrimidin-4-one
SMILESCc1cncn(C2CCCCC2)c1=O
InChIInChI=1S/C11H16N2O/c1-9-7-12-8-13(11(9)14)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyKGVCPTHEOWZKCB-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.06
Rot. Bonds1

About 3-cyclohexyl-5-methylpyrimidin-4-one

3-cyclohexyl-5-methylpyrimidin-4-one (PubChem CID 126857606) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-cyclohexyl-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-5-methylpyrimidin-4-one
PubChem CID126857606
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-cyclohexyl-5-methylpyrimidin-4-one
SMILESCc1cncn(C2CCCCC2)c1=O
InChIInChI=1S/C11H16N2O/c1-9-7-12-8-13(11(9)14)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyKGVCPTHEOWZKCB-UHFFFAOYSA-N
XLogP2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexyl-5-methylpyrimidin-4-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 3-cyclohexyl-5-methylpyrimidin-4-one?
The IUPAC name of 3-cyclohexyl-5-methylpyrimidin-4-one (CID 126857606) is 3-cyclohexyl-5-methylpyrimidin-4-one.
What is the SMILES notation for 3-cyclohexyl-5-methylpyrimidin-4-one?
The canonical SMILES for 3-cyclohexyl-5-methylpyrimidin-4-one is Cc1cncn(C2CCCCC2)c1=O.
What is the InChIKey of 3-cyclohexyl-5-methylpyrimidin-4-one?
The InChIKey is KGVCPTHEOWZKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-7-12-8-13(11(9)14)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-cyclohexyl-5-methylpyrimidin-4-one?
3-cyclohexyl-5-methylpyrimidin-4-one has a molecular weight of 192.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-methylpyrimidin-4-one is sourced from PubChem (CID 126857606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).