N-[2-(2-ethoxyphenyl)ethyl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 846558
• Molecular Formular: C17H20N4O2
• Molecular Mass: 312.3663
• Monoisotopic Mass: 312.1586259
• SMILES: c12c(nc(nc2NCCc2c(OCC)cccc2)C)oc(n1)C
• Canonical SMILES: CCOc1ccccc1CCNc1nc(C)nc2c1nc(o2)C
• InChI: InChI=1S/C17H20N4O2/c1-4-22-14-8-6-5-7-13(14)9-10-18-16-15-17(20-11(2)19-16)23-12(3)21-15/h5-8H,4,9-10H2,1-3H3,(H,18,19,20)
• InChIKey: HAEWEFDRUYGXTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-ethoxyphenyl)ethyl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(2-ethoxyphenyl)ethyl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• Synonyms: N-[2-(2-ethoxyphenyl)ethyl]-2,5-dimethyl[1,3]oxazolo[5,4-d]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.625427
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.935998
• LogD (pH = 7.4): 2.9360058
• Log P: 2.936006
• Molar Refractivity: 89.4918 cm^3
• Polarizability: 33.609745 Å^3
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.59
• LOG S: -4.54
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 6