4-Methyl-6,11-Dihydro-2H-Pyrimido[4,5-B][1,5]Benzodiazepine-2,5(3H)-Dione

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Properties Simple | Detailed

Formula C12H21N4O2+
IUPAC Name 4-methyl-6,11-dihydro-3h-pyrimido[4,5-b][1,5]benzodiazepine-2,5-dione
Molecular Mass 253.321 g·mol−1
Heat of Formation -125.7 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 262.28 Å 3
Surface Area 244.73 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrimido(4,5-b)(1,5)benzodiazepine-2,5-dione, 6,11-dihydro-4-methyl-
  • 2-hydroxy-4-methylpyrimido(4,5-b)(1,5)benzodiazepin-5-one
  • 4-methyl-6,11-dihydro-3h-pyrimido[4,5-b][1,5]benzodiazepine-2,5-quinone
  • hmpbd
CAS Number(s)
  • 131563-03-6
InChIKey UPCKLSSECCAMDA-UHFFFAOYSA-N
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