(2R)-2-({6-[(3-Amino-5-Chlorophenyl)Amino]-9-Isopropyl-9H-Purin-2-Yl}Amino)-3-Methyl-1-Butanol

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Properties Simple | Detailed

Formula C19H26ClN7O
IUPAC Name (2r)-2-[[6-(3-amino-5-chloro-anilino)-9-isopropyl-purin-9-ium-2-yl]amino]-3-methyl-butan-1-ol
Molecular Mass 403.909 g·mol−1
Heat of Formation 5.5 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 487.57 Å 3
Surface Area 410.89 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-((6-((3-amino-5-chlorophenyl)amino)-9-(1-methylethyl)-9h-purin-2-yl)amino)-3-methyl-1-butanol
  • (2r)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-(propan-2-yl)-9h-purin-2-yl}amino)-3-methylbutan-1-ol
  • (2r)-2-[[6-[(3-amino-5-chloro-phenyl)amino]-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol
  • (2r)-2-[[6-[(3-amino-5-chloro-phenyl)amino]-9-propan-2-yl-purin-2-yl]amino]-3-methyl-butan-1-ol
  • (2r)-2-[[6-[(3-amino-5-chlorophenyl)amino]-9-isopropyl-2-purinyl]amino]-3-methylbutan-1-ol
  • (2r)-2-[[6-[(3-amino-5-chlorophenyl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
  • aminopurvalanol a
  • hsci1_000391
  • ng-97
  • tocris-2072
InChIKey RAMROQQYRRQPDL-HNNXBMFYSA-N
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