2-methylpyrimidine-4,5-diamine

• ChemBase ID: 801145
• Molecular Formular: C5H8N4
• Molecular Mass: 124.14382
• Monoisotopic Mass: 124.07489628
• SMILES: c1(c(nc(nc1)C)N)N
• Canonical SMILES: Cc1ncc(c(n1)N)N
• InChI: InChI=1S/C5H8N4/c1-3-8-2-4(6)5(7)9-3/h2H,6H2,1H3,(H2,7,8,9)
• InChIKey: NUCHSOWNRSBTJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpyrimidine-4,5-diamine
• IUPAC Traditional name: 2-methylpyrimidine-4,5-diamine
• Synonyms: 2-METHYLPYRIMIDINE-4,5-DIAMINE

Database IDs

• CAS Number: 15579-63-2

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5015249
• LogD (pH = 7.4): -0.45066196
• Log P: -0.38032803
• Molar Refractivity: 37.061 cm^3
• Polarizability: 12.598327 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%