6-methoxy-4-methylquinazolin-2-amine

• ChemBase ID: 185811
• Molecular Formular: C10H11N3O
• Molecular Mass: 189.21384
• Monoisotopic Mass: 189.09021199
• SMILES: c1(nc(c2c(n1)ccc(c2)OC)C)N
• Canonical SMILES: COc1ccc2c(c1)c(C)nc(n2)N
• InChI: InChI=1S/C10H11N3O/c1-6-8-5-7(14-2)3-4-9(8)13-10(11)12-6/h3-5H,1-2H3,(H2,11,12,13)
• InChIKey: OCKIKBXJWZGGOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-4-methylquinazolin-2-amine
• IUPAC Traditional name: 6-methoxy-4-methylquinazolin-2-amine

Database IDs

• PubChem SID: 164241721
• PubChem CID: 929152

CALCULATED PROPERTIES

• Acid pKa: 17.543934
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.141114
• LogD (pH = 7.4): 1.2470834
• Log P: 1.2486215
• Molar Refractivity: 54.5016 cm^3
• Polarizability: 21.46805 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds