2-amino-6,7-dimethoxyquinazolin-4-ol

• ChemBase ID: 815572
• Molecular Formular: C10H11N3O3
• Molecular Mass: 221.21264
• Monoisotopic Mass: 221.08004123
• SMILES: c1(c(cc2nc(nc(c2c1)O)N)OC)OC
• Canonical SMILES: COc1cc2nc(N)nc(c2cc1OC)O
• InChI: InChI=1S/C10H11N3O3/c1-15-7-3-5-6(4-8(7)16-2)12-10(11)13-9(5)14/h3-4H,1-2H3,(H3,11,12,13,14)
• InChIKey: OEASVAKVZYHCQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6,7-dimethoxyquinazolin-4-ol
• IUPAC Traditional name: 2-amino-6,7-dimethoxyquinazolin-4-ol
• Synonyms: 2-amino-6,7-dimethoxyquinazolin-4-ol

Database IDs

• CAS Number: 16175-67-0

CALCULATED PROPERTIES

• Acid pKa: 12.844527
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.2494152
• LogD (pH = 7.4): 1.2504574
• Log P: 1.2504723
• Molar Refractivity: 58.6677 cm^3
• Polarizability: 22.83647 Å^3
• Polar Surface Area: 90.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%