6-methoxy-N2-methylpyridine-2,5-diamine

• ChemBase ID: 810777
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1c(ccc(c1OC)N)NC
• Canonical SMILES: CNc1ccc(c(n1)OC)N
• InChI: InChI=1S/C7H11N3O/c1-9-6-4-3-5(8)7(10-6)11-2/h3-4H,8H2,1-2H3,(H,9,10)
• InChIKey: IIVMVUMPCFMVFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-N2-methylpyridine-2,5-diamine
• IUPAC Traditional name: 6-methoxy-N2-methylpyridine-2,5-diamine
• Synonyms: 6-METHOXY-5-AMINO-2-METHYLAMINOPYRIDINE

Database IDs

• CAS Number: 471254-59-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.3326936
• LogD (pH = 7.4): 0.42928436
• Log P: 0.43066937
• Molar Refractivity: 45.8855 cm^3
• Polarizability: 16.082321 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%