5-(4-Phenoxyphenyl)-5-[4-(2-Pyrimidinyl)-1-Piperazinyl]-2,4,6(1H,3H,5H)-Pyrimidinetrione

Molecule SVG Image

Properties Simple | Detailed

Formula C24H22N6O4
IUPAC Name 5-(4-phenoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)hexahydropyrimidine-2,4,6-trione
Molecular Mass 458.469 g·mol−1
Heat of Formation -223.4 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 516.07 Å 3
Surface Area 426.72 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • 4mr
  • 5-[4-(phenoxy)phenyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazinane-2,4,6-trione
  • 5-[4-(phenoxy)phenyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)barbituric acid
  • 5-[4-(phenoxy)phenyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)hexahydropyrimidine-2,4,6-trione
  • 5-[4-(phenoxy)phenyl]-5-[4-(2-pyrimidinyl)-1-piperazinyl]hexahydropyrimidine-2,4,6-trione
InChIKey FMKQJGOROFNCGM-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N