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

CAS Registry Number®

114748-71-9
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CAS Name

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

Molecular Formula

C16H16F3N5O3

Molecular Mass

383.33

Cite this Page

N-[3-[4-Amino-7-[(2R,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propyn-1-yl]-2,2,2-trifluoroacetamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114748-71-9 (retrieved 2024-08-11) (CAS RN: 114748-71-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    167-169 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C16H16F3N5O3/c17-16(18,19)15(26)21-5-1-2-9-6-24(11-4-3-10(7-25)27-11)14-12(9)13(20)22-8-23-14/h6,8,10-11,25H,3-5,7H2,(H,21,26)(H2,20,22,23)/t10-,11+/m0/s1

InChIKey

InChIKey=WUXCPWCITSUNMX-WDEREUQCSA-N

SMILES

C(#CCNC(C(F)(F)F)=O)C=1C=2C(N(C1)[C@@H]3O[C@H](CO)CC3)=NC=NC2N

Canonical SMILES

O=C(NCC#CC1=CN(C=2N=CN=C(N)C12)C3OC(CO)CC3)C(F)(F)F

Other Names for this Substance

  • Acetamide, N-[3-[4-amino-7-[(2R,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propyn-1-yl]-2,2,2-trifluoro-
  • Acetamide, N-[3-[4-amino-7-[tetrahydro-5-(hydroxymethyl)-2-furanyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propynyl]-2,2,2-trifluoro-, (2R-cis)-
  • 7H-Pyrrolo[2,3-d]pyrimidine, acetamide deriv.
  • N-[3-[4-Amino-7-[(2R,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propyn-1-yl]-2,2,2-trifluoroacetamide