5-bromo-6-methylpyrazin-2-amine

• ChemBase ID: 70689
• Molecular Formular: C5H6BrN3
• Molecular Mass: 188.02524
• Monoisotopic Mass: 186.97450921
• SMILES: c1(cnc(c(n1)C)Br)N
• Canonical SMILES: Nc1cnc(c(n1)C)Br
• InChI: InChI=1S/C5H6BrN3/c1-3-5(6)8-2-4(7)9-3/h2H,1H3,(H2,7,9)
• InChIKey: YNMLUNRXLAUIDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-6-methylpyrazin-2-amine
• IUPAC Traditional name: 5-bromo-6-methylpyrazin-2-amine
• Synonyms: 2-Amino-5-bromo-6-methylpyrazine

Database IDs

• CAS Number: 74290-69-0
• MDL Number: MFCD08705763
• PubChem SID: 162036402
• PubChem CID: 21785149

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4088802
• LogD (pH = 7.4): 0.40907487
• Log P: 0.40907735
• Molar Refractivity: 39.8146 cm^3
• Polarizability: 14.460225 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%