5,6-dimethylpyrazin-2-amine

• ChemBase ID: 289681
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: Nc1nc(C)c(C)nc1
• Canonical SMILES: Nc1cnc(c(n1)C)C
• InChI: InChI=1S/C6H9N3/c1-4-5(2)9-6(7)3-8-4/h3H,1-2H3,(H2,7,9)
• InChIKey: JTPCVJQUFYRJES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethylpyrazin-2-amine
• IUPAC Traditional name: 5,6-dimethylpyrazin-2-amine
• Synonyms: 5,6-Dimethylpyrazin-2-amine

Database IDs

• CAS Number: 6294-70-8
• PubChem SID: 180675212
• PubChem CID: 222763

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.43497196
• LogD (pH = 7.4): -0.43384156
• Log P: -0.43382713
• Molar Refractivity: 35.9411 cm^3
• Polarizability: 13.206033 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%