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CAS 73738-06-4

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5-(1,1,2,2,2-pentadeuterioethyl)-5-phenyl-hexahydropyrimidine-4,6-dione

Description:
5-(1,1,2,2,2-pentadeuterioethyl)-5-phenyl-hexahydropyrimidine-4,6-dione, with the CAS number 73738-06-4, is a synthetic organic compound characterized by its unique structure, which includes a hexahydropyrimidine ring substituted with both a phenyl group and a deuterated ethyl group. The presence of deuterium atoms in the ethyl group enhances its stability and alters its physical properties compared to its non-deuterated counterparts. This compound is likely to exhibit properties typical of pyrimidine derivatives, such as potential biological activity, including antimicrobial or antitumor effects, due to the presence of the pyrimidine core. Its solubility, melting point, and reactivity can be influenced by the substituents on the ring, particularly the phenyl and deuterated ethyl groups. Additionally, the incorporation of deuterium can be advantageous in studies involving nuclear magnetic resonance (NMR) spectroscopy, as it provides clearer spectral data. Overall, this compound represents a valuable tool in both synthetic chemistry and medicinal research.
Formula:C12H9D5N2O2
InChI:InChI=1/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)/i1D3,2D2
InChI key:DQMZLTXERSFNPB-ZBJDZAJPSA-N
SMILES:C(C(C1(c2ccccc2)C(=NCN=C1O)O)([2H])[2H])([2H])([2H])[2H]
Synonyms:
  • 4,6(1H,5H)-pyrimidinedione, 5-(ethyl-d5
  • 5-(2
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