9-Cyclopentyl-N~8~-(2-Fluorophenyl)-N~2~-(4-Methoxyphenyl)-9H-Purine-2,8-Diamine

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Properties Simple | Detailed

Formula C23H23FN6O
IUPAC Name 9-cyclopentyl-n8-(2-fluorophenyl)-n2-(4-methoxyphenyl)purine-2,8-diamine
Molecular Mass 418.467 g·mol−1
Heat of Formation 137.9 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 481.13 Å 3
Surface Area 422.79 Å 2
HOMO Energy -8.00 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • [9-cyclopentyl-2-[(4-methoxyphenyl)amino]purin-8-yl]-(2-fluorophenyl)amine
InChIKey IMFVPVKPQOQCBY-UHFFFAOYSA-N
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Elements H C N O F