1-(Cyclopropylmethyl)-6-(3,5-Dimethylbenzoyl)-5-Isopropyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C20H24N2O3
IUPAC Name 1-(cyclopropylmethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-dione
Molecular Mass 340.416 g·mol−1
Heat of Formation -425.5 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 427.52 Å 3
Surface Area 356.64 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(cyclopropylmethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-quinone
  • 1-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)carbonyl-5-propan-2-yl-pyrimidine-2,4-dione
  • 1-(cyclopropylmethyl)-6-[(3,5-dimethylphenyl)-oxomethyl]-5-isopropylpyrimidine-2,4-dione
  • 2,4(1h,3h)-pyrimidinedione, 1-(cyclopropylmethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-
  • 6-[(3,5-dimethylphenyl)carbonyl]-1-(cyclopropylmethyl)-5-(methylethyl)-1,3-dihydropyrimidine-2,4-dione
InChIKey UCOAKFIVSAVHLC-UHFFFAOYSA-N
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