4,6-dimethoxypyridin-3-amine

• ChemBase ID: 799257
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: Nc1cnc(cc1OC)OC
• Canonical SMILES: COc1ncc(c(c1)OC)N
• InChI: InChI=1S/C7H10N2O2/c1-10-6-3-7(11-2)9-4-5(6)8/h3-4H,8H2,1-2H3
• InChIKey: WYPPFWXTKDBNSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethoxypyridin-3-amine
• IUPAC Traditional name: 4,6-dimethoxypyridin-3-amine
• Synonyms: 4,6-Dimethoxy-pyridin-3-ylamine

Database IDs

• CAS Number: 89943-34-0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.16316359
• LogD (pH = 7.4): 0.20519741
• Log P: 0.20576243
• Molar Refractivity: 41.8414 cm^3
• Polarizability: 15.632432 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%