2-methoxy-6-methylpyrimidine-4-carbaldehyde

• ChemBase ID: 803664
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: c1c(nc(nc1C)OC)C=O
• Canonical SMILES: COc1nc(C=O)cc(n1)C
• InChI: InChI=1S/C7H8N2O2/c1-5-3-6(4-10)9-7(8-5)11-2/h3-4H,1-2H3
• InChIKey: JBYGZPTZOZHDLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-methylpyrimidine-4-carbaldehyde
• IUPAC Traditional name: 2-methoxy-6-methylpyrimidine-4-carbaldehyde
• Synonyms: 2-METHOXY-6-METHYLPYRIMIDINE-4-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.089261
• LogD (pH = 7.4): 1.0892658
• Log P: 1.0892658
• Molar Refractivity: 39.9218 cm^3
• Polarizability: 14.777804 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%