2-amino-6-methylpyrimidine-4-carbaldehyde

• ChemBase ID: 803663
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: c1c(nc(nc1C)N)C=O
• Canonical SMILES: O=Cc1cc(C)nc(n1)N
• InChI: InChI=1S/C6H7N3O/c1-4-2-5(3-10)9-6(7)8-4/h2-3H,1H3,(H2,7,8,9)
• InChIKey: UAGWSQQIGVDHBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-methylpyrimidine-4-carbaldehyde
• IUPAC Traditional name: 2-amino-6-methylpyrimidine-4-carbaldehyde
• Synonyms: 2-AMINO-6-METHYLPYRIMIDINE-4-CARBALDEHYDE

CALCULATED PROPERTIES

• Acid pKa: 16.307617
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.41628587
• LogD (pH = 7.4): 0.41798937
• Log P: 0.41801116
• Molar Refractivity: 38.159 cm^3
• Polarizability: 13.381669 Å^3
• Polar Surface Area: 68.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%