2-(5-Amino-6-Oxo-2-Phenyl-1(6H)-Pyrimidinyl)-N-{(1S,2S)-1-Hydroxy-3-Methyl-1-[5-(2-Methyl-2-Propanyl)-1,3,4-Oxadiazol-2-Yl]-2-Butanyl}Acetamide

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Properties Simple | Detailed

Formula C23H31N6O4
IUPAC Name 2-(5-amino-6-oxo-2-phenyl-pyrimidin-3-ium-5-id-1-yl)-n-[(1s)-1-[(s)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-hydroxy-methyl]-2-methyl-propyl]acetamide
Molecular Mass 455.530 g·mol−1
Heat of Formation -445.4 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 559.19 Å 3
Surface Area 412.15 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(5-amino-6-keto-2-phenyl-pyrimidin-1-yl)-n-[(1s)-1-[(s)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-hydroxy-methyl]-2-methyl-propyl]acetamide
  • 2-(5-amino-6-oxo-2-phenyl-1-pyrimidinyl)-n-[(1s)-1-[(s)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-hydroxymethyl]-2-methylpropyl]acetamide
  • 2-(5-amino-6-oxo-2-phenyl-6h-pyrimidin-1-yl)-n-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-(methylethyl)-2-hydroxyethyl]acetamide
  • 2-(5-amino-6-oxo-2-phenyl-pyrimidin-1-yl)-n-[(1s)-1-[(s)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-hydroxy-methyl]-2-methyl-propyl]acetamide
  • 2-(5-amino-6-oxo-2-phenyl-pyrimidin-1-yl)-n-[(1s,2s)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methyl-butan-2-yl]ethanamide
  • 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-n-[(1s,2s)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]acetamide
  • ono-6818
InChIKey HMPQTEPEMQZWQH-ROUUACIJSA-N
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