6,7-dimethoxy-N-(2-methylpropyl)quinazolin-4-amine

• ChemBase ID: 224087
• Molecular Formular: C14H19N3O2
• Molecular Mass: 261.31956
• Monoisotopic Mass: 261.14772686
• SMILES: c12c(ncnc1cc(c(c2)OC)OC)NCC(C)C
• Canonical SMILES: COc1cc2c(NCC(C)C)ncnc2cc1OC
• InChI: InChI=1S/C14H19N3O2/c1-9(2)7-15-14-10-5-12(18-3)13(19-4)6-11(10)16-8-17-14/h5-6,8-9H,7H2,1-4H3,(H,15,16,17)
• InChIKey: VYOPVKKPZLXSJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-N-(2-methylpropyl)quinazolin-4-amine
• IUPAC Traditional name: 6,7-dimethoxy-N-(2-methylpropyl)quinazolin-4-amine

Database IDs

• PubChem SID: 164279997
• PubChem CID: 20786151

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.1198885
• LogD (pH = 7.4): 2.4157407
• Log P: 2.421259
• Molar Refractivity: 75.9784 cm^3
• Polarizability: 29.583775 Å^3
• Polar Surface Area: 56.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds