4-methylpyrimidine-2-carboxamide

• ChemBase ID: 292615
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: Cc1ccnc(n1)C(=O)N
• Canonical SMILES: Cc1ccnc(n1)C(=O)N
• InChI: InChI=1S/C6H7N3O/c1-4-2-3-8-6(9-4)5(7)10/h2-3H,1H3,(H2,7,10)
• InChIKey: LWXMMXBUCBCAFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpyrimidine-2-carboxamide
• IUPAC Traditional name: 4-methylpyrimidine-2-carboxamide
• Synonyms: 4-Methylpyrimidine-2-carboxamide

Database IDs

• CAS Number: 1330754-32-9
• PubChem SID: 180678146
• PubChem CID: 58742271

CALCULATED PROPERTIES

• Acid pKa: 12.427489
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.28049177
• LogD (pH = 7.4): -0.28049418
• Log P: -0.28049153
• Molar Refractivity: 36.0531 cm^3
• Polarizability: 13.1951475 Å^3
• Polar Surface Area: 68.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%