2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one

C9H12N2O2 — CID 12945283

IUPAC2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(C2CC2)[nH]c(=O)c1C
InChIInChI=1S/C9H12N2O2/c1-5-8(12)10-7(6-3-4-6)11-9(5)13-2/h6H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyQCXSXCZKHKSKOK-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.96
Rot. Bonds2

About 2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one

2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 12945283) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one
PubChem CID12945283
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(C2CC2)[nH]c(=O)c1C
InChIInChI=1S/C9H12N2O2/c1-5-8(12)10-7(6-3-4-6)11-9(5)13-2/h6H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyQCXSXCZKHKSKOK-UHFFFAOYSA-N
XLogP0.96
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-4-methoxy-5-methyl-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-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one (CID 12945283) is 2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one is COc1nc(C2CC2)[nH]c(=O)c1C.
What is the InChIKey of 2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is QCXSXCZKHKSKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-8(12)10-7(6-3-4-6)11-9(5)13-2/h6H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one?
2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 12945283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).