3,5-dimethylpyrazin-2-amine

• ChemBase ID: 79159
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1c(c(ncc1C)N)C
• Canonical SMILES: Cc1cnc(c(n1)C)N
• InChI: InChI=1S/C6H9N3/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3,(H2,7,8)
• InChIKey: GZZRWBRYYZGTNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethylpyrazin-2-amine
• IUPAC Traditional name: 3,5-dimethylpyrazin-2-amine
• Synonyms: 3,5-Dimethylpyrazin-2-amine; 2-Amino-3,5-dimethyl-1,4-diazine; 2-Amino-3,5-dimethylpyrazine; 3,5-dimethylpyrazin-2-amine

Database IDs

• CAS Number: 91678-81-8
• MDL Number: MFCD00107172
• PubChem SID: 162043922
• PubChem CID: 2774764

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.43418354
• LogD (pH = 7.4): -0.4338316
• Log P: -0.43382713
• Molar Refractivity: 35.9411 cm^3
• Polarizability: 13.206235 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96°C

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 97%