5-Methyl-3-(3-{4-[2-(2,2,2-Trifluoroethoxy)Phenyl]-1-Piperazinyl}Propyl)-2,4(1H,3H)-Pyrimidinedione

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Formula C20H25F3N4O3
IUPAC Name 5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione
Molecular Mass 426.433 g·mol−1
Heat of Formation -1030.2 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 481.47 Å 3
Surface Area 403.46 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]-1-piperazinyl]propyl]-1h-pyrimidine-2,4-dione
  • 5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1h-pyrimidine-2,4-dione
  • 5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]uracil
  • tocris-1325
InChIKey RCOBWVAGWYRNHZ-UHFFFAOYSA-N
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