1-[(Benzyloxy)Methyl]-5-Ethyl-6-(2-Pyridinylsulfanyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C19H19N3O3S++
IUPAC Name 1-(benzyloxymethyl)-5-ethyl-6-(2-pyridylsulfanyl)pyrimidine-2,4-dione
Molecular Mass 369.437 g·mol−1
Heat of Formation -243.8 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 429.68 Å 3
Surface Area 345.24 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(benzyloxymethyl)-5-ethyl-6-(2-pyridylthio)pyrimidine-2,4-quinone
  • 1-benzyloxymethyl-5-ethyl-6-(2-pyridylthio)uracil
  • 2,4(1h,3h)-pyrimidinedione, 5-ethyl-1-((phenylmethoxy)methyl)-6-(2-pyridinylthio)-
  • 2,4(1h,3h)-pyrimidinedione, 5-ethyl-1-[(phenylmethoxy)methyl]-6-(2-pyridinylthio)-
  • 5-ethyl-1-(phenylmethoxymethyl)-6-(2-pyridylsulfanyl)pyrimidine-2,4-dione
  • 5-ethyl-1-(phenylmethoxymethyl)-6-(2-pyridylthio)pyrimidine-2,4-dione
  • 5-ethyl-1-(phenylmethoxymethyl)-6-pyridin-2-ylsulfanyl-pyrimidine-2,4-dione
  • 5-ethyl-1-(phenylmethoxymethyl)-6-pyridin-2-ylsulfanylpyrimidine-2,4-dione
  • e-bptu
  • e-bpyu
CAS Number(s)
  • 153562-59-5
InChIKey NFYXXBIRONUIPP-UHFFFAOYSA-N
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