(Z)-1-(6-ethoxy-4-methylquinazolin-2-yl)-2-methylguanidine

• ChemBase ID: 181587
• Molecular Formular: C13H17N5O
• Molecular Mass: 259.30698
• Monoisotopic Mass: 259.14331019
• SMILES: c1(nc(c2c(n1)ccc(c2)OCC)C)N/C(=N\C)/N
• Canonical SMILES: CCOc1ccc2c(c1)c(C)nc(n2)N/C(=N\C)/N
• InChI: InChI=1S/C13H17N5O/c1-4-19-9-5-6-11-10(7-9)8(2)16-13(17-11)18-12(14)15-3/h5-7H,4H2,1-3H3,(H3,14,15,16,17,18)
• InChIKey: DUABAYRKXJKFCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-1-(6-ethoxy-4-methylquinazolin-2-yl)-2-methylguanidine
• IUPAC Traditional name: (Z)-1-(6-ethoxy-4-methylquinazolin-2-yl)-2-methylguanidine

Database IDs

• PubChem SID: 164237497
• PubChem CID: 1761705

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.035710085
• LogD (pH = 7.4): 1.4368137
• Log P: 1.6320245
• Molar Refractivity: 75.1654 cm^3
• Polarizability: 28.848568 Å^3
• Polar Surface Area: 85.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds