(2R)-2-[(9-Isopropyl-6-{[4-(2-Pyridinyl)Benzyl]Amino}-9H-Purin-2-Yl)Amino]-1-Butanol

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Properties Simple | Detailed

Formula C24H29N7O
IUPAC Name (2r)-2-[[9-isopropyl-6-[[4-(2-pyridyl)phenyl]methylamino]purin-9-ium-5-ylium-2-yl]amino]butan-1-ol
Molecular Mass 431.533 g·mol−1
Heat of Formation 192.4 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 535.0 Å 3
Surface Area 472.42 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[9-isopropyl-6-[[4-(2-pyridyl)benzyl]amino]purin-2-yl]amino]butan-1-ol
  • (2r)-2-[[9-isopropyl-6-[[4-(2-pyridyl)phenyl]methylamino]-2-purinyl]amino]butan-1-ol
  • (2r)-2-[[9-isopropyl-6-[[4-(2-pyridyl)phenyl]methylamino]purin-2-yl]amino]butan-1-ol
InChIKey HOCBJBNQIQQQGT-LJQANCHMSA-N
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