5-(2-methoxypyridin-3-yl)pyrazin-2-amine

• ChemBase ID: 804556
• Molecular Formular: C10H10N4O
• Molecular Mass: 202.2126
• Monoisotopic Mass: 202.08546096
• SMILES: Nc1cnc(cn1)c1c(nccc1)OC
• Canonical SMILES: COc1ncccc1c1cnc(cn1)N
• InChI: InChI=1S/C10H10N4O/c1-15-10-7(3-2-4-12-10)8-5-14-9(11)6-13-8/h2-6H,1H3,(H2,11,14)
• InChIKey: IVBJKKFXQAEKIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methoxypyridin-3-yl)pyrazin-2-amine
• IUPAC Traditional name: 5-(2-methoxypyridin-3-yl)pyrazin-2-amine
• Synonyms: 5-(2-METHOXY-PYRIDIN-3-YL)-PYRAZIN-2-YLAMINE

Database IDs

• CAS Number: 835876-14-7

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5552942
• LogD (pH = 7.4): 0.5556179
• Log P: 0.55562204
• Molar Refractivity: 56.1421 cm^3
• Polarizability: 22.25272 Å^3
• Polar Surface Area: 73.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%