6-(2,4-Diamino-6-Ethyl-5-Pyrimidinyl)-4-(3-Methoxypropyl)-2,2-Dimethyl-2H-1,4-Benzoxazin-3(4H)-One

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Formula C20H27N5O3
IUPAC Name 6-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-4-(3-methoxypropyl)-2,2-dimethyl-1,4-benzoxazin-3-one
Molecular Mass 385.460 g·mol−1
Heat of Formation -421.5 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 471.47 Å 3
Surface Area 394.08 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
Synonyms
  • 5ig
  • 6-(2,4-diamino-6-ethyl-5-pyrimidinyl)-4-(3-methoxypropyl)-2,2-dimethyl-1,4-benzoxazin-3-one
  • 6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2,2-dimethyl-1,4-benzoxazin-3-one
  • 6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2,2-dimethyl-2h-1,4-benzoxazin-3(4h)-one
InChIKey WPAPODFGOZXFLG-UHFFFAOYSA-N
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