3-bromo-5,6-dimethylpyrazin-2-amine

• ChemBase ID: 803963
• Molecular Formular: C6H8BrN3
• Molecular Mass: 202.05182
• Monoisotopic Mass: 200.99015927
• SMILES: c1(c(nc(c(n1)C)C)N)Br
• Canonical SMILES: Cc1nc(Br)c(nc1C)N
• InChI: InChI=1S/C6H8BrN3/c1-3-4(2)10-6(8)5(7)9-3/h1-2H3,(H2,8,10)
• InChIKey: XMDSQJUFCJOKCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5,6-dimethylpyrazin-2-amine
• IUPAC Traditional name: 3-bromo-5,6-dimethylpyrazin-2-amine
• Synonyms: 3-BROMO-5,6-DIMETHYLPYRAZIN-2-AMINE

Database IDs

• CAS Number: 6294-69-5

CALCULATED PROPERTIES

• Acid pKa: 19.135603
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.54030234
• LogD (pH = 7.4): 0.5404457
• Log P: 0.54044753
• Molar Refractivity: 44.4061 cm^3
• Polarizability: 16.190544 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%