3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one

C14H20N2O — CID 174592068

IUPAC3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one
SMILESC=CCc1cnc(C)n(C2CCCCC2)c1=O
InChIInChI=1S/C14H20N2O/c1-3-7-12-10-15-11(2)16(14(12)17)13-8-5-4-6-9-13/h3,10,13H,1,4-9H2,2H3
InChIKeySGHGFRXDKZYOCO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.79
Rot. Bonds3

About 3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one

3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one (PubChem CID 174592068) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one
PubChem CID174592068
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one
SMILESC=CCc1cnc(C)n(C2CCCCC2)c1=O
InChIInChI=1S/C14H20N2O/c1-3-7-12-10-15-11(2)16(14(12)17)13-8-5-4-6-9-13/h3,10,13H,1,4-9H2,2H3
InChIKeySGHGFRXDKZYOCO-UHFFFAOYSA-N
XLogP2.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-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-2-methyl-5-prop-2-enylpyrimidin-4-one?
The IUPAC name of 3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one (CID 174592068) is 3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one is C=CCc1cnc(C)n(C2CCCCC2)c1=O.
What is the InChIKey of 3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one?
The InChIKey is SGHGFRXDKZYOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-7-12-10-15-11(2)16(14(12)17)13-8-5-4-6-9-13/h3,10,13H,1,4-9H2,2H3.
What are the key properties of 3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one?
3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one has a molecular weight of 232.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-methyl-5-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 174592068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).