6-Benzyl-1,3-Dimethyl-5,6,7,8-Tetrahydropyrimido[4,5-D]Pyrimidine-2,4(1H,3H)-Dione

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Properties Simple | Detailed

Formula C15H18N4O2++
IUPAC Name (6r)-6-benzyl-1,3-dimethyl-7,8-dihydro-5h-pyrimido[4,5-d]pyrimidine-2,4-dione
Molecular Mass 286.329 g·mol−1
Heat of Formation -161.8 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 339.5 Å 3
Surface Area 303.66 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dimethyl-2,4-dioxo-6-benzyl-1,2,3,4,5,6,7,8-octahydropyrimido(4,5-d)pyrimidine
  • 1,3-dimethyl-6-(phenylmethyl)-7,8-dihydro-5h-pyrimido[5,4-e]pyrimidine-2,4-dione
  • 6-(benzyl)-1,3-dimethyl-7,8-dihydro-5h-pyrimido[5,4-e]pyrimidine-2,4-quinone
  • dmdobohpp
  • oprea1_276129
  • pyrimido(4,5-d)pyrimidine-2,4(1h,3h)-dione, 5,6,7,8-tetrahydro-1,3-dimethyl-6-(phenylmethyl)-
CAS Number(s)
  • 71803-56-0
  • 5847-86-9
InChIKey OTLBIOOKYHLHSP-UHFFFAOYSA-N
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