N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

• ChemBase ID: 614614
• Molecular Formular: C14H17N5OS
• Molecular Mass: 303.38268
• Monoisotopic Mass: 303.11538119
• SMILES: c12c(c(c(s1)C)C)c(ncn2)NCCc1nc(on1)CC
• Canonical SMILES: CCc1onc(n1)CCNc1ncnc2c1c(C)c(s2)C
• InChI: InChI=1S/C14H17N5OS/c1-4-11-18-10(19-20-11)5-6-15-13-12-8(2)9(3)21-14(12)17-7-16-13/h7H,4-6H2,1-3H3,(H,15,16,17)
• InChIKey: XETPHTRYNJESLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
• Synonyms: N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.152878
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.5840669
• LogD (pH = 7.4): 3.5931683
• Log P: 3.5932856
• Molar Refractivity: 85.1262 cm^3
• Polarizability: 30.661318 Å^3
• Polar Surface Area: 76.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.14
• LOG S: -4.1
• Polar Surface Area: 76.73 Å^2
• Rotatable Bonds: 5