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

C8H10N2O2 — CID 63206446

IUPAC5-methyl-1-(2-oxopropyl)pyrimidin-2-one
SMILESCC(=O)Cn1cc(C)cnc1=O
InChIInChI=1S/C8H10N2O2/c1-6-3-9-8(12)10(4-6)5-7(2)11/h3-4H,5H2,1-2H3
InChIKeyCXPVDRFHNUZMIW-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.14
Rot. Bonds2

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

5-methyl-1-(2-oxopropyl)pyrimidin-2-one (PubChem CID 63206446) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-methyl-1-(2-oxopropyl)pyrimidin-2-one.

Molecular Properties

Compound Name5-methyl-1-(2-oxopropyl)pyrimidin-2-one
PubChem CID63206446
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-methyl-1-(2-oxopropyl)pyrimidin-2-one
SMILESCC(=O)Cn1cc(C)cnc1=O
InChIInChI=1S/C8H10N2O2/c1-6-3-9-8(12)10(4-6)5-7(2)11/h3-4H,5H2,1-2H3
InChIKeyCXPVDRFHNUZMIW-UHFFFAOYSA-N
XLogP0.14
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-(2-oxopropyl)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-oxopropyl)pyrimidin-2-one?
The IUPAC name of 5-methyl-1-(2-oxopropyl)pyrimidin-2-one (CID 63206446) is 5-methyl-1-(2-oxopropyl)pyrimidin-2-one.
What is the SMILES notation for 5-methyl-1-(2-oxopropyl)pyrimidin-2-one?
The canonical SMILES for 5-methyl-1-(2-oxopropyl)pyrimidin-2-one is CC(=O)Cn1cc(C)cnc1=O.
What is the InChIKey of 5-methyl-1-(2-oxopropyl)pyrimidin-2-one?
The InChIKey is CXPVDRFHNUZMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-3-9-8(12)10(4-6)5-7(2)11/h3-4H,5H2,1-2H3.
What are the key properties of 5-methyl-1-(2-oxopropyl)pyrimidin-2-one?
5-methyl-1-(2-oxopropyl)pyrimidin-2-one has a molecular weight of 166.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-oxopropyl)pyrimidin-2-one is sourced from PubChem (CID 63206446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).