5-(2-methylpropyl)pyrazin-2-amine

• ChemBase ID: 802299
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1c(ncc(n1)CC(C)C)N
• Canonical SMILES: CC(Cc1ncc(nc1)N)C
• InChI: InChI=1S/C8H13N3/c1-6(2)3-7-4-11-8(9)5-10-7/h4-6H,3H2,1-2H3,(H2,9,11)
• InChIKey: WSDVHKAFWIWVFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methylpropyl)pyrazin-2-amine
• IUPAC Traditional name: 5-(2-methylpropyl)pyrazin-2-amine
• Synonyms: 5-ISOBUTYLPYRAZIN-2-AMINE

Database IDs

• CAS Number: 59489-76-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8667498
• LogD (pH = 7.4): 0.8669241
• Log P: 0.8669263
• Molar Refractivity: 45.1261 cm^3
• Polarizability: 16.961569 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%