ethyl 4-aminoquinazoline-2-carboxylate

• ChemBase ID: 803775
• Molecular Formular: C11H11N3O2
• Molecular Mass: 217.22394
• Monoisotopic Mass: 217.08512661
• SMILES: c1ccc2nc(nc(c2c1)N)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1nc(N)c2c(n1)cccc2
• InChI: InChI=1S/C11H11N3O2/c1-2-16-11(15)10-13-8-6-4-3-5-7(8)9(12)14-10/h3-6H,2H2,1H3,(H2,12,13,14)
• InChIKey: ITTNRKSYHIROFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-aminoquinazoline-2-carboxylate
• IUPAC Traditional name: ethyl 4-aminoquinazoline-2-carboxylate
• Synonyms: ETHYL 4-AMINOQUINAZOLINE-2-CARBOXYLATE

Database IDs

• CAS Number: 83566-33-0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9793488
• LogD (pH = 7.4): 1.9799982
• Log P: 1.9800066
• Molar Refractivity: 60.2492 cm^3
• Polarizability: 23.461594 Å^3
• Polar Surface Area: 78.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%