5,5-Diethyl-1-Isopropyl-2,4,6(1H,3H,5H)-Pyrimidinetrione

Molecule SVG Image

Properties Simple | Detailed

Formula C11H18N2O3
IUPAC Name 5,5-diethyl-1-isopropyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 226.272 g·mol−1
Heat of Formation -691.5 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 283.6 Å 3
Surface Area 240.11 Å 2
HOMO Energy -10.52 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5,5-diethyl-1-(1-methylethyl)-
  • 5,5-diethyl-1-isopropyl-barbituric acid
  • 5,5-diethyl-1-isopropylbarbituric acid
  • 5,5-diethyl-1-isopropylhexahydropyrimidine-2,4,6-trione
  • 5,5-diethyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione
  • barbituric acid, 5,5-diethyl-1-isopropyl-
CAS Number(s)
  • 85432-35-5
InChIKey AKBNYULNQSFESQ-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