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

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Properties Simple | Detailed

Formula C19H25ClN6O
IUPAC Name (2r)-2-[[6-(3-chloroanilino)-9-isopropyl-purine-1,3,7-triium-2-yl]amino]-3-methyl-butan-1-ol
Molecular Mass 388.894 g·mol−1
Heat of Formation 8.2 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 472.24 Å 3
Surface Area 404.82 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9h-purin-2-yl}amino)-3-methylbutan-1-ol
  • (2r)-2-[[6-[(3-chlorophenyl)amino]-9-isopropyl-2-purinyl]amino]-3-methylbutan-1-ol
  • (2r)-2-[[6-[(3-chlorophenyl)amino]-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol
  • (2r)-2-[[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]amino]-3-methyl-butan-1-ol
  • (2r)-2-[[6-[(3-chlorophenyl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
  • 2-(1r-isopropyl-2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
  • 2-({6-[(3-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)-3-methylbutan-1-ol
  • 6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine
  • bcbcmap01_000180
  • ng-60
  • p01
  • purv
  • purvalanol a
  • purvalanol- a
  • smp1_000251
  • tocris-1580
CAS Number(s)
  • 212844-53-6
InChIKey PMXCMJLOPOFPBT-HNNXBMFYSA-N
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