6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one

C9H14N2O2 — CID 21321219

IUPAC6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one
SMILESCOc1cc(=O)n(C)c(C(C)C)n1
InChIInChI=1S/C9H14N2O2/c1-6(2)9-10-7(13-4)5-8(12)11(9)3/h5-6H,1-4H3
InChIKeyVIVPJZPJAPTVMB-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.91
Rot. Bonds2

About 6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one

6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one (PubChem CID 21321219) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one
PubChem CID21321219
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one
SMILESCOc1cc(=O)n(C)c(C(C)C)n1
InChIInChI=1S/C9H14N2O2/c1-6(2)9-10-7(13-4)5-8(12)11(9)3/h5-6H,1-4H3
InChIKeyVIVPJZPJAPTVMB-UHFFFAOYSA-N
XLogP0.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-3-methyl-2-propan-2-ylpyrimidin-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 6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one (CID 21321219) is 6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one is COc1cc(=O)n(C)c(C(C)C)n1.
What is the InChIKey of 6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one?
The InChIKey is VIVPJZPJAPTVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)9-10-7(13-4)5-8(12)11(9)3/h5-6H,1-4H3.
What are the key properties of 6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one?
6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one has a molecular weight of 182.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-2-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 21321219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).