(2S)-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 (2s)-2-[[6-(3-amino-5-chloro-anilino)-9-isopropyl-purin-9-ium-3-id-2-yl]amino]-3-methyl-butan-1-ol
Molecular Mass 403.909 g·mol−1
Heat of Formation -8.1 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 489.83 Å 3
Surface Area 410.93 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)-3-methylbutan-1-ol
  • (2s)-2-[[6-[(3-amino-5-chloro-phenyl)amino]-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol
  • (2s)-2-[[6-[(3-amino-5-chloro-phenyl)amino]-9-propan-2-yl-purin-2-yl]amino]-3-methyl-butan-1-ol
  • (2s)-2-[[6-[(3-amino-5-chlorophenyl)amino]-9-isopropyl-2-purinyl]amino]-3-methylbutan-1-ol
  • ap9
InChIKey RAMROQQYRRQPDL-OAHLLOKOSA-N
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Elements H C Cl O N