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

• ChemBase ID: 642775
• Molecular Formular: C15H19N5OS
• Molecular Mass: 317.40926
• Monoisotopic Mass: 317.13103125
• SMILES: c12c(sc(c2CC)C)ncnc1N(Cc1nnc(o1)CC)C
• Canonical SMILES: CCc1nnc(o1)CN(c1ncnc2c1c(CC)c(s2)C)C
• InChI: InChI=1S/C15H19N5OS/c1-5-10-9(3)22-15-13(10)14(16-8-17-15)20(4)7-12-19-18-11(6-2)21-12/h8H,5-7H2,1-4H3
• InChIKey: IVQQDQFJAFFMQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.1960828
• LogD (pH = 7.4): 3.202176
• Log P: 3.2022545
• Molar Refractivity: 89.3884 cm^3
• Polarizability: 32.56932 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.38
• LOG S: -3.55
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 5