6-iodo-2-methylpyrimidin-4-amine

• ChemBase ID: 67120
• Molecular Formular: C5H6IN3
• Molecular Mass: 235.02571
• Monoisotopic Mass: 234.96064521
• SMILES: c1(nc(cc(n1)I)N)C
• Canonical SMILES: Nc1cc(I)nc(n1)C
• InChI: InChI=1S/C5H6IN3/c1-3-8-4(6)2-5(7)9-3/h2H,1H3,(H2,7,8,9)
• InChIKey: GZHINVBVMNLSCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-iodo-2-methylpyrimidin-4-amine
• IUPAC Traditional name: 6-iodo-2-methylpyrimidin-4-amine
• Synonyms: 4-Amino-6-iodo-2-methylpyrimidine; 6-Iodo-2-MethylpyriMidin-4-aMine

Database IDs

• CAS Number: 943006-46-0
• MDL Number: MFCD11040178
• PubChem SID: 162032856
• PubChem CID: 54759245

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5609113
• LogD (pH = 7.4): 1.5794934
• Log P: 1.5797355
• Molar Refractivity: 45.4312 cm^3
• Polarizability: 16.859377 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%