5-bromo-3-methylpyrazin-2-amine

• ChemBase ID: 67169
• Molecular Formular: C5H6BrN3
• Molecular Mass: 188.02524
• Monoisotopic Mass: 186.97450921
• SMILES: c1(c(nc(cn1)Br)C)N
• Canonical SMILES: Brc1cnc(c(n1)C)N
• InChI: InChI=1S/C5H6BrN3/c1-3-5(7)8-2-4(6)9-3/h2H,1H3,(H2,7,8)
• InChIKey: VZZCBPAGRWGQDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-methylpyrazin-2-amine
• IUPAC Traditional name: 5-bromo-3-methylpyrazin-2-amine
• Synonyms: 2-Amino-5-bromo-3-methylpyrazine

Database IDs

• CAS Number: 74290-67-8
• MDL Number: MFCD08705773
• PubChem SID: 162032905
• PubChem CID: 21785147

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.40905544
• LogD (pH = 7.4): 0.40907708
• Log P: 0.40907735
• Molar Refractivity: 39.8146 cm^3
• Polarizability: 14.459222 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%