2-(3-methylcyclopentyl)-1H-pyrimidin-6-one

C10H14N2O — CID 65400865

IUPAC2-(3-methylcyclopentyl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2nccc(=O)[nH]2)C1
InChIInChI=1S/C10H14N2O/c1-7-2-3-8(6-7)10-11-5-4-9(13)12-10/h4-5,7-8H,2-3,6H2,1H3,(H,11,12,13)
InChIKeyJCZAFFHLELEAKM-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.67
Rot. Bonds1

About 2-(3-methylcyclopentyl)-1H-pyrimidin-6-one

2-(3-methylcyclopentyl)-1H-pyrimidin-6-one (PubChem CID 65400865) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(3-methylcyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-methylcyclopentyl)-1H-pyrimidin-6-one
PubChem CID65400865
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-(3-methylcyclopentyl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2nccc(=O)[nH]2)C1
InChIInChI=1S/C10H14N2O/c1-7-2-3-8(6-7)10-11-5-4-9(13)12-10/h4-5,7-8H,2-3,6H2,1H3,(H,11,12,13)
InChIKeyJCZAFFHLELEAKM-UHFFFAOYSA-N
XLogP1.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylcyclopentyl)-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 2-(3-methylcyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-methylcyclopentyl)-1H-pyrimidin-6-one (CID 65400865) is 2-(3-methylcyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-methylcyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-methylcyclopentyl)-1H-pyrimidin-6-one is CC1CCC(c2nccc(=O)[nH]2)C1.
What is the InChIKey of 2-(3-methylcyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is JCZAFFHLELEAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-2-3-8(6-7)10-11-5-4-9(13)12-10/h4-5,7-8H,2-3,6H2,1H3,(H,11,12,13).
What are the key properties of 2-(3-methylcyclopentyl)-1H-pyrimidin-6-one?
2-(3-methylcyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 178.23 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65400865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).