6-bromo-2-methylpyrimidin-4-amine

• ChemBase ID: 67865
• Molecular Formular: C5H6BrN3
• Molecular Mass: 188.02524
• Monoisotopic Mass: 186.97450921
• SMILES: c1(nc(cc(n1)Br)N)C
• Canonical SMILES: Nc1cc(Br)nc(n1)C
• InChI: InChI=1S/C5H6BrN3/c1-3-8-4(6)2-5(7)9-3/h2H,1H3,(H2,7,8,9)
• InChIKey: AEWWKIWMCYZMJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-methylpyrimidin-4-amine
• IUPAC Traditional name: 6-bromo-2-methylpyrimidin-4-amine
• Synonyms: 4-Amino-6-bromo-2-methylpyrimidine

Database IDs

• CAS Number: 1161763-15-0
• MDL Number: MFCD12923091
• PubChem SID: 162033600
• PubChem CID: 56965719

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4767196
• LogD (pH = 7.4): 1.4913763
• Log P: 1.4915664
• Molar Refractivity: 40.8256 cm^3
• Polarizability: 14.453765 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+%