5-bromo-N,N,6-trimethylpyrazin-2-amine

• ChemBase ID: 801228
• Molecular Formular: C7H10BrN3
• Molecular Mass: 216.0784
• Monoisotopic Mass: 215.00580934
• SMILES: c1c(nc(c(n1)Br)C)N(C)C
• Canonical SMILES: CN(c1cnc(c(n1)C)Br)C
• InChI: InChI=1S/C7H10BrN3/c1-5-7(8)9-4-6(10-5)11(2)3/h4H,1-3H3
• InChIKey: SBYZMYVHGJVHQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N,N,6-trimethylpyrazin-2-amine
• IUPAC Traditional name: 5-bromo-N,N,6-trimethylpyrazin-2-amine
• Synonyms: 5-BROMO-N,N,6-TRIMETHYLPYRAZIN-2-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3459495
• LogD (pH = 7.4): 1.346046
• Log P: 1.3460472
• Molar Refractivity: 49.5428 cm^3
• Polarizability: 18.057138 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%