3-cyclohexyl-1,6-dihydropyrimidin-2-one

C10H16N2O — CID 141275058

IUPAC3-cyclohexyl-1,6-dihydropyrimidin-2-one
SMILESO=C1NCC=CN1C1CCCCC1
InChIInChI=1S/C10H16N2O/c13-10-11-7-4-8-12(10)9-5-2-1-3-6-9/h4,8-9H,1-3,5-7H2,(H,11,13)
InChIKeyPHBLNVYBIOJMDM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.86
Rot. Bonds1

About 3-cyclohexyl-1,6-dihydropyrimidin-2-one

3-cyclohexyl-1,6-dihydropyrimidin-2-one (PubChem CID 141275058) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-cyclohexyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3-cyclohexyl-1,6-dihydropyrimidin-2-one
PubChem CID141275058
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-cyclohexyl-1,6-dihydropyrimidin-2-one
SMILESO=C1NCC=CN1C1CCCCC1
InChIInChI=1S/C10H16N2O/c13-10-11-7-4-8-12(10)9-5-2-1-3-6-9/h4,8-9H,1-3,5-7H2,(H,11,13)
InChIKeyPHBLNVYBIOJMDM-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-cyclohexyl-1,6-dihydropyrimidin-2-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-1,6-dihydropyrimidin-2-one?
The IUPAC name of 3-cyclohexyl-1,6-dihydropyrimidin-2-one (CID 141275058) is 3-cyclohexyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 3-cyclohexyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 3-cyclohexyl-1,6-dihydropyrimidin-2-one is O=C1NCC=CN1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1,6-dihydropyrimidin-2-one?
The InChIKey is PHBLNVYBIOJMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-10-11-7-4-8-12(10)9-5-2-1-3-6-9/h4,8-9H,1-3,5-7H2,(H,11,13).
What are the key properties of 3-cyclohexyl-1,6-dihydropyrimidin-2-one?
3-cyclohexyl-1,6-dihydropyrimidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 141275058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).