7-methoxyquinazolin-4-amine

• ChemBase ID: 811060
• Molecular Formular: C9H9N3O
• Molecular Mass: 175.18726
• Monoisotopic Mass: 175.07456192
• SMILES: Nc1ncnc2cc(ccc12)OC
• Canonical SMILES: COc1ccc2c(c1)ncnc2N
• InChI: InChI=1S/C9H9N3O/c1-13-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5H,1H3,(H2,10,11,12)
• InChIKey: OPTQENVXDQCIOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxyquinazolin-4-amine
• IUPAC Traditional name: 7-methoxyquinazolin-4-amine
• Synonyms: 7-METHOXY-QUINAZOLIN-4-YLAMINE

Database IDs

• CAS Number: 21560-97-4

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7696322
• LogD (pH = 7.4): 1.0283369
• Log P: 1.0329229
• Molar Refractivity: 50.2776 cm^3
• Polarizability: 19.70203 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%