3-methoxy-2,6-dimethyl-3,4-dihydropyrimidin-4-one

• ChemBase ID: 292761
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: COn1c(=O)cc(C)nc1C
• Canonical SMILES: COn1c(C)nc(cc1=O)C
• InChI: InChI=1S/C7H10N2O2/c1-5-4-7(10)9(11-3)6(2)8-5/h4H,1-3H3
• InChIKey: SBQGFVIGTIWOQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2,6-dimethyl-3,4-dihydropyrimidin-4-one
• IUPAC Traditional name: 3-methoxy-2,6-dimethylpyrimidin-4-one
• Synonyms: 3-Methoxy-2,6-dimethylpyrimidin-4(3H)-one

Database IDs

• CAS Number: 1201793-65-8
• PubChem SID: 180678292
• PubChem CID: 70700983

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.06776747
• LogD (pH = 7.4): 0.06776775
• Log P: 0.067767754
• Molar Refractivity: 41.4157 cm^3
• Polarizability: 15.320453 Å^3
• Polar Surface Area: 41.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%