5-methyl-1-(2-oxopentyl)pyrimidin-2-one

C10H14N2O2 — CID 63205851

IUPAC5-methyl-1-(2-oxopentyl)pyrimidin-2-one
SMILESCCCC(=O)Cn1cc(C)cnc1=O
InChIInChI=1S/C10H14N2O2/c1-3-4-9(13)7-12-6-8(2)5-11-10(12)14/h5-6H,3-4,7H2,1-2H3
InChIKeyWKFXRASRSKEWEI-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.92
Rot. Bonds4

About 5-methyl-1-(2-oxopentyl)pyrimidin-2-one

5-methyl-1-(2-oxopentyl)pyrimidin-2-one (PubChem CID 63205851) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-methyl-1-(2-oxopentyl)pyrimidin-2-one.

Molecular Properties

Compound Name5-methyl-1-(2-oxopentyl)pyrimidin-2-one
PubChem CID63205851
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-methyl-1-(2-oxopentyl)pyrimidin-2-one
SMILESCCCC(=O)Cn1cc(C)cnc1=O
InChIInChI=1S/C10H14N2O2/c1-3-4-9(13)7-12-6-8(2)5-11-10(12)14/h5-6H,3-4,7H2,1-2H3
InChIKeyWKFXRASRSKEWEI-UHFFFAOYSA-N
XLogP0.92
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-(2-oxopentyl)pyrimidin-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 5-methyl-1-(2-oxopentyl)pyrimidin-2-one?
The IUPAC name of 5-methyl-1-(2-oxopentyl)pyrimidin-2-one (CID 63205851) is 5-methyl-1-(2-oxopentyl)pyrimidin-2-one.
What is the SMILES notation for 5-methyl-1-(2-oxopentyl)pyrimidin-2-one?
The canonical SMILES for 5-methyl-1-(2-oxopentyl)pyrimidin-2-one is CCCC(=O)Cn1cc(C)cnc1=O.
What is the InChIKey of 5-methyl-1-(2-oxopentyl)pyrimidin-2-one?
The InChIKey is WKFXRASRSKEWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-4-9(13)7-12-6-8(2)5-11-10(12)14/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 5-methyl-1-(2-oxopentyl)pyrimidin-2-one?
5-methyl-1-(2-oxopentyl)pyrimidin-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-oxopentyl)pyrimidin-2-one is sourced from PubChem (CID 63205851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).