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

• ChemBase ID: 224069
• Molecular Formular: C13H17N3O3
• Molecular Mass: 263.29238
• Monoisotopic Mass: 263.12699142
• SMILES: c12c(cc(c(c1)OC)OC)ncnc2NCCOC
• Canonical SMILES: COCCNc1ncnc2c1cc(OC)c(c2)OC
• InChI: InChI=1S/C13H17N3O3/c1-17-5-4-14-13-9-6-11(18-2)12(19-3)7-10(9)15-8-16-13/h6-8H,4-5H2,1-3H3,(H,14,15,16)
• InChIKey: DFAXZAODLXANTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279979
• PubChem CID: 7574843

CALCULATED PROPERTIES

• Acid pKa: 19.44932
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.8374735
• LogD (pH = 7.4): 1.1246865
• Log P: 1.1299802
• Molar Refractivity: 73.2777 cm^3
• Polarizability: 28.433077 Å^3
• Polar Surface Area: 65.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds