2-Fluoro-8-[(6-Iodo-1,3-Benzodioxol-5-Yl)Methyl]-9-[3-(Isopropylamino)Propyl]-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C19H22FIN6O2
IUPAC Name 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]purin-9-ium-6-amine
Molecular Mass 512.320 g·mol−1
Heat of Formation -109.0 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 491.36 Å 3
Surface Area 383.17 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2-fluoro-8-((6-iodobenzo[d][1,3]dioxol-5-yl)methyl)-9-(3-(isopropylamino)propyl)-9h-purin-6-amine
  • 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]-6-purinamine
  • 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]purin-6-amine
  • 3-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]propyl-isopropyl-amine
InChIKey JPPCGDGMQGJGQK-UHFFFAOYSA-N
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