3,5-dibromo-6-methylpyrazin-2-amine

• ChemBase ID: 806200
• Molecular Formular: C5H5Br2N3
• Molecular Mass: 266.9213
• Monoisotopic Mass: 264.88502118
• SMILES: c1(c(nc(c(n1)Br)C)N)Br
• Canonical SMILES: Cc1nc(N)c(nc1Br)Br
• InChI: InChI=1S/C5H5Br2N3/c1-2-3(6)10-4(7)5(8)9-2/h1H3,(H2,8,9)
• InChIKey: AWBLTDFTDYGFGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-6-methylpyrazin-2-amine
• IUPAC Traditional name: 3,5-dibromo-6-methylpyrazin-2-amine
• Synonyms: 2-AMINO-3,5-DIBROMO-6-METHYLPYRAZINE

Database IDs

• CAS Number: 74290-66-7

CALCULATED PROPERTIES

• Acid pKa: 17.951353
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3833268
• LogD (pH = 7.4): 1.3833517
• Log P: 1.383352
• Molar Refractivity: 48.2796 cm^3
• Polarizability: 17.672766 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%