6-methoxypyrazin-2-amine

• ChemBase ID: 66912
• Molecular Formular: C5H7N3O
• Molecular Mass: 125.12858
• Monoisotopic Mass: 125.05891186
• SMILES: c1(cncc(n1)OC)N
• Canonical SMILES: COc1cncc(n1)N
• InChI: InChI=1S/C5H7N3O/c1-9-5-3-7-2-4(6)8-5/h2-3H,1H3,(H2,6,8)
• InChIKey: YGFNVCMGUHJLRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxypyrazin-2-amine
• IUPAC Traditional name: pyrazinamine, 6-methoxy-
• Synonyms: 2-Amino-6-methoxypyrazine

Database IDs

• CAS Number: 6905-47-1
• MDL Number: MFCD09909689
• PubChem SID: 162032648
• PubChem CID: 4868193

CALCULATED PROPERTIES

• Acid pKa: 19.573925
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.25978664
• LogD (pH = 7.4): -0.25978127
• Log P: -0.2597812
• Molar Refractivity: 33.5348 cm^3
• Polarizability: 12.234729 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%