2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one

C11H16N2O3 — CID 79375936

IUPAC2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CCCO1
InChIInChI=1S/C11H16N2O3/c1-8-6-10(14)13(11(12-8)15-2)7-9-4-3-5-16-9/h6,9H,3-5,7H2,1-2H3
InChIKeyIFUWPCNYZITECE-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.74
Rot. Bonds3

About 2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one

2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one (PubChem CID 79375936) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
PubChem CID79375936
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CCCO1
InChIInChI=1S/C11H16N2O3/c1-8-6-10(14)13(11(12-8)15-2)7-9-4-3-5-16-9/h6,9H,3-5,7H2,1-2H3
InChIKeyIFUWPCNYZITECE-UHFFFAOYSA-N
XLogP0.74
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-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 2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one (CID 79375936) is 2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one is COc1nc(C)cc(=O)n1CC1CCCO1.
What is the InChIKey of 2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is IFUWPCNYZITECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-6-10(14)13(11(12-8)15-2)7-9-4-3-5-16-9/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 224.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 79375936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).