3,6-dimethylpyrazin-2-amine

• ChemBase ID: 289895
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: Nc1nc(C)cnc1C
• Canonical SMILES: Cc1cnc(c(n1)N)C
• InChI: InChI=1S/C6H9N3/c1-4-3-8-5(2)6(7)9-4/h3H,1-2H3,(H2,7,9)
• InChIKey: HYZYHVUIWRRMEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dimethylpyrazin-2-amine
• IUPAC Traditional name: 3,6-dimethylpyrazin-2-amine
• Synonyms: 3,6-Dimethylpyrazin-2-amine

Database IDs

• CAS Number: 13134-38-8
• PubChem SID: 180675426
• PubChem CID: 13261500

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.43507522
• LogD (pH = 7.4): -0.43384287
• Log P: -0.43382713
• Molar Refractivity: 35.9411 cm^3
• Polarizability: 13.206489 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%