6-methylpyrimidine-4,5-diamine

• ChemBase ID: 166827
• Molecular Formular: C5H8N4
• Molecular Mass: 124.14382
• Monoisotopic Mass: 124.07489628
• SMILES: n1cnc(c(c1C)N)N
• Canonical SMILES: Nc1c(C)ncnc1N
• InChI: InChI=1S/C5H8N4/c1-3-4(6)5(7)9-2-8-3/h2H,6H2,1H3,(H2,7,8,9)
• InChIKey: IDMLXPYSMIAAML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyrimidine-4,5-diamine
• IUPAC Traditional name: 6-methylpyrimidine-4,5-diamine
• Synonyms: 4,5-Diamino-6-methyl-pyrimidine; NSC 122008; 4,5-Diamino-6-methylpyrimidineDiscontinued see D416376

Database IDs

• CAS Number: 22715-28-2
• PubChem SID: 162260960
• PubChem CID: 275296

CALCULATED PROPERTIES

• Log P: -0.88228875
• Molar Refractivity: 37.0281 cm^3
• Polarizability: 12.597543 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8604358
• LogD (pH = 7.4): -0.93096066

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Light Orange Solid
• Melting Point: 219-222°C

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere