2,8-dimethylquinazolin-4-ol

• ChemBase ID: 815573
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1cc(c2nc(nc(c2c1)O)C)C
• Canonical SMILES: Cc1nc(O)c2c(n1)c(C)ccc2
• InChI: InChI=1S/C10H10N2O/c1-6-4-3-5-8-9(6)11-7(2)12-10(8)13/h3-5H,1-2H3,(H,11,12,13)
• InChIKey: CJXMJXBJIWEHRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-dimethylquinazolin-4-ol
• IUPAC Traditional name: 2,8-dimethylquinazolin-4-ol
• Synonyms: 2,8-dimethylquinazolin-4-ol

Database IDs

• CAS Number: 172462-90-7

CALCULATED PROPERTIES

• Acid pKa: 13.181855
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7894151
• LogD (pH = 7.4): 2.7894363
• Log P: 2.7894373
• Molar Refractivity: 50.7605 cm^3
• Polarizability: 20.201077 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%