6-methylpyrimidin-4-amine

• ChemBase ID: 67141
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: c1nc(cc(n1)C)N
• Canonical SMILES: Cc1ncnc(c1)N
• InChI: InChI=1S/C5H7N3/c1-4-2-5(6)8-3-7-4/h2-3H,1H3,(H2,6,7,8)
• InChIKey: LAERIBHKDNBVOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyrimidin-4-amine
• IUPAC Traditional name: 6-methyl-4-pyrimidinamine
• Synonyms: 6-methyl-4-pyrimidinamine; 6-Methylpyrimidin-4-amine

Database IDs

• CAS Number: 1134647-49-6; 3435-28-7
• MDL Number: MFCD00188073
• PubChem SID: 162032877
• PubChem CID: 572852

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8063072
• LogD (pH = 7.4): -0.07947498
• Log P: -0.053362798
• Molar Refractivity: 32.3277 cm^3
• Polarizability: 11.441285 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 186 - 188°C
• Hydrophobicity(logP): 0.175

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%; 98%