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

• ChemBase ID: 292573
• Molecular Formular: C6H8ClN3
• Molecular Mass: 157.60082
• Monoisotopic Mass: 157.04067495
• SMILES: Cc1nc(N)c(Cl)nc1C
• Canonical SMILES: Cc1nc(Cl)c(nc1C)N
• InChI: InChI=1S/C6H8ClN3/c1-3-4(2)10-6(8)5(7)9-3/h1-2H3,(H2,8,10)
• InChIKey: GABOTYHSSBSAEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5,6-dimethylpyrazin-2-amine
• IUPAC Traditional name: 3-chloro-5,6-dimethylpyrazin-2-amine
• Synonyms: 3-Chloro-5,6-dimethylpyrazin-2-amine

Database IDs

• CAS Number: 39213-71-3
• PubChem SID: 180678104
• PubChem CID: 298094

CALCULATED PROPERTIES

• Acid pKa: 18.936956
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3902546
• LogD (pH = 7.4): 0.39039296
• Log P: 0.39039472
• Molar Refractivity: 41.8072 cm^3
• Polarizability: 15.193342 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%