5-bromo-N,N-dimethylpyrazin-2-amine

• ChemBase ID: 804153
• Molecular Formular: C6H8BrN3
• Molecular Mass: 202.05182
• Monoisotopic Mass: 200.99015927
• SMILES: N(C)(C)c1cnc(cn1)Br
• Canonical SMILES: CN(c1ncc(nc1)Br)C
• InChI: InChI=1S/C6H8BrN3/c1-10(2)6-4-8-5(7)3-9-6/h3-4H,1-2H3
• InChIKey: FWXYKLVSUHVGKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N,N-dimethylpyrazin-2-amine
• IUPAC Traditional name: 5-bromo-N,N-dimethylpyrazin-2-amine
• Synonyms: (5-BROMO-2-PYRAZINYL)DIMETHYLAMINE

Database IDs

• CAS Number: 446286-94-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2146661
• LogD (pH = 7.4): 1.2146769
• Log P: 1.214677
• Molar Refractivity: 44.9513 cm^3
• Polarizability: 16.320906 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%