6-methoxyquinazolin-2-amine

• ChemBase ID: 802359
• Molecular Formular: C9H9N3O
• Molecular Mass: 175.18726
• Monoisotopic Mass: 175.07456192
• SMILES: c1(ccc2nc(ncc2c1)N)OC
• Canonical SMILES: COc1ccc2c(c1)cnc(n2)N
• InChI: InChI=1S/C9H9N3O/c1-13-7-2-3-8-6(4-7)5-11-9(10)12-8/h2-5H,1H3,(H2,10,11,12)
• InChIKey: KQPYVUBSOWFUHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinazolin-2-amine
• IUPAC Traditional name: 6-methoxyquinazolin-2-amine
• Synonyms: 6-METHOXYQUINAZOLIN-2-AMINE

Database IDs

• CAS Number: 709-06-8

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 17.382565
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0971119
• LogD (pH = 7.4): 1.1169915
• Log P: 1.1172514
• Molar Refractivity: 49.9101 cm^3
• Polarizability: 19.704687 Å^3
• Polar Surface Area: 61.03 Å^2

PROPERTIES

Product Information

• Purity: 98%