(2-methylpyrimidin-5-yl)methanamine

• ChemBase ID: 803598
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: c1(cnc(nc1)C)CN
• Canonical SMILES: NCc1cnc(nc1)C
• InChI: InChI=1S/C6H9N3/c1-5-8-3-6(2-7)4-9-5/h3-4H,2,7H2,1H3
• InChIKey: OYRGKUTZSTXSQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpyrimidin-5-yl)methanamine
• IUPAC Traditional name: (2-methylpyrimidin-5-yl)methanamine
• Synonyms: 5-AMINOMETHYL-2-METHYLPYRIMIDINE

Database IDs

• CAS Number: 14273-46-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3088522
• LogD (pH = 7.4): -1.8187462
• Log P: -0.31315306
• Molar Refractivity: 35.8201 cm^3
• Polarizability: 13.665237 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%