N-{2-[6-(2,4-Diamino-6-Ethyl-5-Pyrimidinyl)-2,2-Dimethyl-3-Oxo-2,3-Dihydro-4H-1,4-Benzoxazin-4-Yl]Ethyl}Acetamide

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Properties Simple | Detailed

Formula C20H26N6O3
IUPAC Name n-[2-[6-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl]acetamide
Molecular Mass 398.459 g·mol−1
Heat of Formation -452.5 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 479.71 Å 3
Surface Area 384.86 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 2.93 ± eV
Point Group Symmetry C1
Synonyms
  • 3ig
  • n-[2-[6-(2,4-diamino-6-ethyl-5-pyrimidinyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl]acetamide
  • n-[2-[6-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl]acetamide
  • n-[2-[6-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl]ethanamide
  • n-[2-[6-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]ethyl]acetamide
  • n-[2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl]acetamide
  • n-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl]ethyl}acetamide
InChIKey GBXSOZDYCSBLQX-UHFFFAOYSA-N
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