6,7-dimethoxy-2-(pyrimidin-5-yl)quinazolin-4-amine

• ChemBase ID: 657410
• Molecular Formular: C14H13N5O2
• Molecular Mass: 283.28532
• Monoisotopic Mass: 283.10692468
• SMILES: n1c(nc2c(c1N)cc(c(c2)OC)OC)c1cncnc1
• Canonical SMILES: COc1cc2nc(nc(c2cc1OC)N)c1cncnc1
• InChI: InChI=1S/C14H13N5O2/c1-20-11-3-9-10(4-12(11)21-2)18-14(19-13(9)15)8-5-16-7-17-6-8/h3-7H,1-2H3,(H2,15,18,19)
• InChIKey: MNPLTRPHDNHDLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-2-(pyrimidin-5-yl)quinazolin-4-amine
• IUPAC Traditional name: 6,7-dimethoxy-2-(pyrimidin-5-yl)quinazolin-4-amine
• Synonyms: 6,7-dimethoxy-2-pyrimidin-5-ylquinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.1168141
• LogD (pH = 7.4): 1.2242515
• Log P: 1.225812
• Molar Refractivity: 88.8162 cm^3
• Polarizability: 30.708773 Å^3
• Polar Surface Area: 96.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.23
• LOG S: -2.38
• Polar Surface Area: 96.04 Å^2
• Rotatable Bonds: 3