(4-methylpyrimidin-2-yl)methanamine

• ChemBase ID: 310436
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1c(nccc1C)CN
• Canonical SMILES: Cc1ccnc(n1)CN
• InChI: InChI=1S/C6H9N3/c1-5-2-3-8-6(4-7)9-5/h2-3H,4,7H2,1H3
• InChIKey: MBVLWFLZWJQUQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylpyrimidin-2-yl)methanamine
• IUPAC Traditional name: (4-methylpyrimidin-2-yl)methanamine
• Synonyms: (4-METHYLPYRIMIDIN-2-YL)METHANAMINE; 1-(4-methyl-2-pyrimidinyl)methanamine

Database IDs

• CAS Number: 933682-85-0
• MDL Number: MFCD10697185

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3367798
• LogD (pH = 7.4): -0.6449808
• Log P: -0.15404256
• Molar Refractivity: 35.2979 cm^3
• Polarizability: 13.665399 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%