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CAS 114748-68-4

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N-[3-[2-Amino-4,7-dihydro-4-oxo-7-[(2R,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-3H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propyn-1-yl]-2,2,2-trifluoroacetamide

Description:
N-[3-[2-Amino-4,7-dihydro-4-oxo-7-[(2R,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-3H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propyn-1-yl]-2,2,2-trifluoroacetamide, with the CAS number 114748-68-4, is a complex organic compound characterized by its unique structural features, including a pyrimidine core and a trifluoroacetamide functional group. This compound exhibits properties typical of heterocyclic compounds, such as potential biological activity due to its amino and furan substituents, which may influence its interaction with biological targets. The presence of trifluoroacetyl groups often enhances lipophilicity, potentially affecting its solubility and permeability in biological systems. Additionally, the stereochemistry indicated by the (2R,5S) configuration suggests that the compound may exhibit specific chiral properties, which can be crucial for its pharmacological activity. Overall, this compound's intricate structure and functional groups suggest it may have applications in medicinal chemistry, particularly in the development of therapeutic agents.
Formula:C16H16F3N5O4
InChI:InChI=1S/C16H16F3N5O4/c17-16(18,19)14(27)21-5-1-2-8-6-24(10-4-3-9(7-25)28-10)12-11(8)13(26)23-15(20)22-12/h6,9-10,25H,3-5,7H2,(H,21,27)(H3,20,22,23,26)/t9-,10+/m0/s1
InChI key:InChIKey=GMTOEMNRUPBIFY-VHSXEESVSA-N
SMILES:C(#CCNC(C(F)(F)F)=O)C=1C2=C(N(C1)[C@@H]3O[C@H](CO)CC3)NC(N)=NC2=O
Synonyms:
  • Acetamide, N-[3-[2-amino-4,7-dihydro-4-oxo-7-[(2R,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-3H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propyn-1-yl]-2,2,2-trifluoro-
  • N-[3-[2-Amino-4,7-dihydro-4-oxo-7-[(2R,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-3H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propyn-1-yl]-2,2,2-trifluoroacetamide
  • Acetamide, N-[3-[2-amino-4,7-dihydro-4-oxo-7-[tetrahydro-5-(hydroxymethyl)-2-furanyl]-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propynyl]-2,2,2-trifluoro-, (2R-cis)-
  • 1H-Pyrrolo[2,3-d]pyrimidine, acetamide deriv.
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