6-(6-methoxy-5-methylpyridin-3-yl)-5-methylpyridin-2-amine

• ChemBase ID: 814578
• Molecular Formular: C13H15N3O
• Molecular Mass: 229.2777
• Monoisotopic Mass: 229.12151212
• SMILES: n1c(c(ccc1N)C)c1cnc(c(c1)C)OC
• Canonical SMILES: COc1ncc(cc1C)c1nc(N)ccc1C
• InChI: InChI=1S/C13H15N3O/c1-8-4-5-11(14)16-12(8)10-6-9(2)13(17-3)15-7-10/h4-7H,1-3H3,(H2,14,16)
• InChIKey: FXZZSHICIXUGPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(6-methoxy-5-methylpyridin-3-yl)-5-methylpyridin-2-amine
• IUPAC Traditional name: 6-(6-methoxy-5-methylpyridin-3-yl)-5-methylpyridin-2-amine
• Synonyms: 6'-methoxy-3,5'-dimethyl-2,3'-bipyridin-6-amine

Database IDs

• CAS Number: 1083168-82-4

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9644055
• LogD (pH = 7.4): 2.7672303
• Log P: 2.8001373
• Molar Refractivity: 68.3814 cm^3
• Polarizability: 26.68914 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%