6-methoxyquinazolin-4-amine

• ChemBase ID: 293212
• Molecular Formular: C9H9N3O
• Molecular Mass: 175.18726
• Monoisotopic Mass: 175.07456192
• SMILES: Nc1c2cc(OC)ccc2ncn1
• Canonical SMILES: COc1ccc2c(c1)c(N)ncn2
• InChI: InChI=1S/C9H9N3O/c1-13-6-2-3-8-7(4-6)9(10)12-5-11-8/h2-5H,1H3,(H2,10,11,12)
• InChIKey: QVBPHARYACNVKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinazolin-4-amine
• IUPAC Traditional name: 6-methoxyquinazolin-4-amine
• Synonyms: 6-Methoxyquinazolin-4-amine; 6-METHOXY-QUINAZOLIN-4-YLAMINE

Database IDs

• CAS Number: 885277-51-0
• MDL Number: MFCD06738759
• PubChem SID: 180678743
• PubChem CID: 17949136

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.89406437
• LogD (pH = 7.4): 1.0308567
• Log P: 1.0329229
• Molar Refractivity: 50.2776 cm^3
• Polarizability: 19.703094 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%