6-ethoxy-4-methyl-N-(4,4,6-trimethyl-4,5-dihydropyrimidin-2-yl)quinazolin-2-amine

• ChemBase ID: 184332
• Molecular Formular: C18H23N5O
• Molecular Mass: 325.40812
• Monoisotopic Mass: 325.19026038
• SMILES: C1(=NC(CC(=N1)C)(C)C)Nc1nc(c2c(n1)ccc(c2)OCC)C
• Canonical SMILES: CCOc1ccc2c(c1)c(C)nc(n2)NC1=NC(CC(=N1)C)(C)C
• InChI: InChI=1S/C18H23N5O/c1-6-24-13-7-8-15-14(9-13)12(3)20-16(21-15)22-17-19-11(2)10-18(4,5)23-17/h7-9H,6,10H2,1-5H3,(H,20,21,22,23)
• InChIKey: YBWXFWNLYXDWFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxy-4-methyl-N-(4,4,6-trimethyl-4,5-dihydropyrimidin-2-yl)quinazolin-2-amine
• IUPAC Traditional name: 6-ethoxy-4-methyl-N-(4,4,6-trimethyl-5H-pyrimidin-2-yl)quinazolin-2-amine

Database IDs

• PubChem SID: 164240242
• PubChem CID: 793466

CALCULATED PROPERTIES

• Acid pKa: 15.03011
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.9426377
• LogD (pH = 7.4): 2.9621315
• Log P: 2.962386
• Molar Refractivity: 95.5925 cm^3
• Polarizability: 36.925053 Å^3
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Tautomers
• Classification: Derivatives & analogs of Natural Compounds