N-[3-(2-ethoxyphenyl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

• ChemBase ID: 831885
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: c12c(c(nc(n1)C)NCCCc1c(OCC)cccc1)c(no2)C
• Canonical SMILES: CCOc1ccccc1CCCNc1nc(C)nc2c1c(C)no2
• InChI: InChI=1S/C18H22N4O2/c1-4-23-15-10-6-5-8-14(15)9-7-11-19-17-16-12(2)22-24-18(16)21-13(3)20-17/h5-6,8,10H,4,7,9,11H2,1-3H3,(H,19,20,21)
• InChIKey: PZMIZUKAGFKXNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-ethoxyphenyl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[3-(2-ethoxyphenyl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• Synonyms: N-[3-(2-ethoxyphenyl)propyl]-3,6-dimethylisoxazolo[5,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.012613
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.424746
• LogD (pH = 7.4): 3.4249208
• Log P: 3.424923
• Molar Refractivity: 95.3482 cm^3
• Polarizability: 35.452736 Å^3
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.48
• LOG S: -5.56
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 7