2-[(6-methylquinazolin-4-yl)amino]ethan-1-ol

• ChemBase ID: 311462
• Molecular Formular: C11H13N3O
• Molecular Mass: 203.24042
• Monoisotopic Mass: 203.10586205
• SMILES: c12c(ncnc1ccc(c2)C)NCCO
• Canonical SMILES: OCCNc1ncnc2c1cc(C)cc2
• InChI: InChI=1S/C11H13N3O/c1-8-2-3-10-9(6-8)11(12-4-5-15)14-7-13-10/h2-3,6-7,15H,4-5H2,1H3,(H,12,13,14)
• InChIKey: SZAKITLNKSSQAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(6-methylquinazolin-4-yl)amino]ethan-1-ol
• IUPAC Traditional name: 2-[(6-methylquinazolin-4-yl)amino]ethanol
• Synonyms: 2-[(6-methyl-4-quinazolinyl)amino]ethanol

Database IDs

• CAS Number: 889940-47-0
• MDL Number: MFCD08443614

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1996713
• LogD (pH = 7.4): 1.3139404
• Log P: 1.3156176
• Molar Refractivity: 60.6413 cm^3
• Polarizability: 23.256071 Å^3
• Polar Surface Area: 58.04 Å^2