1-{[(7S,9As)-2-(2-Pyrimidinyl)Octahydro-2H-Pyrido[1,2-A]Pyrazin-7-Yl]Methyl}-2,5-Pyrrolidinedione

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Properties Simple | Detailed

Formula C17H23N5O2
IUPAC Name 1-[[(2r,5s,7s,9as)-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]pyrrolidine-2,5-dione
Molecular Mass 329.397 g·mol−1
Heat of Formation -208.1 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 398.22 Å 3
Surface Area 336.81 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.94 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[[(7s,9as)-2-(2-pyrimidinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,6-a]pyrazin-7-yl]methyl]pyrrolidine-2,5-dione
  • 1-[[(7s,9as)-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,6-a]pyrazin-7-yl]methyl]pyrrolidine-2,5-dione
  • 1-[[(7s,9as)-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,6-a]pyrazin-7-yl]methyl]pyrrolidine-2,5-quinone
  • cp 93,393-1
  • n-(((7s,9as)-octahydro-2-(2-pyrimidinyl)-2h-pyrido(1,2-a)pyrazin-7-yl)methyl)succinimide monohydrochloride
CAS Number(s)
  • 131831-03-3
InChIKey UXWBIYCPUVWKHP-KBPBESRZSA-N
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