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Theoretical studies of 1-(4-substituted-5-hydroxymethyl-tetrahydro-furan-2-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione molecule

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Abstract

The structural and electronic properties of 1-(4-substituted-5-hydroxymethyl-tetrahydro-furan-2-ylmethyl)-5-methyl-1Hpyrimidine-2,4-dione molecules have been investigated theoretically by performing theoretical calculations. The electronic properties and relative energies of the molecules are obtained. It was found that the 1-(5-hydroxymethyl-4-nitro-tetrahydro-furan-2-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione molecule have approximately the same structural and electronic properties when compared with the AZT molecules.

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Authors and Affiliations

  1. Department of Chemistry, College of Science, University of Basrah, Basrah, Iraq

    A. H. Essa

  2. Instituto de Química, Universidad Nacional Autónoma de Mexico, México D.F.

    A. F. Jalbout

Authors
  1. A. H. Essa
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  2. A. F. Jalbout
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Correspondence to A. H. Essa.

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Essa, A.H., Jalbout, A.F. Theoretical studies of 1-(4-substituted-5-hydroxymethyl-tetrahydro-furan-2-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione molecule. JICS 5, 498–505 (2008). https://doi.org/10.1007/BF03246008

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  • DOI: https://doi.org/10.1007/BF03246008

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