2-Butoxy-9-(2,6-Difluorobenzyl)-N-[2-(4-Morpholinyl)Ethyl]-9H-Purin-6-Amine

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Formula C22H28F2N6O2
IUPAC Name 2-butoxy-9-[(2,6-difluorophenyl)methyl]-n-(2-morpholinoethyl)purin-9-ium-2-ylium-6-amine
Molecular Mass 446.494 g·mol−1
Heat of Formation -403.7 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 531.29 Å 3
Surface Area 425.57 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butoxy-9-[(2,6-difluorophenyl)methyl]-n-(2-morpholinoethyl)-6-purinamine
  • 2-butoxy-9-[(2,6-difluorophenyl)methyl]-n-(2-morpholinoethyl)purin-6-amine
  • [2-butoxy-9-(2,6-difluorobenzyl)purin-6-yl]-(2-morpholinoethyl)amine
InChIKey UGZWPZWADDDTRN-UHFFFAOYSA-N
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