2-{[(2-{[(2R)-1-Hydroxy-2-Butanyl]Amino}-9-Isopropyl-9H-Purin-6-Yl)Amino]Methyl}Phenol

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Properties Simple | Detailed

Formula C19H26N6O2
IUPAC Name 2-[[[2-[[(1r)-1-(hydroxymethyl)propyl]amino]-9-isopropyl-purin-6-yl]amino]methyl]phenol
Molecular Mass 370.449 g·mol−1
Heat of Formation -150.1 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 458.77 Å 3
Surface Area 400.18 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 2.89 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[[2-[[(1r)-1-(hydroxymethyl)propyl]amino]-9-isopropyl-6-purinyl]amino]methyl]phenol
  • 2-[[[2-[[(1r)-1-(hydroxymethyl)propyl]amino]-9-isopropyl-purin-6-yl]amino]methyl]phenol
  • 2-[[[2-[[(2r)-1-hydroxybutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]amino]methyl]phenol
  • 2-[[[2-[[(2r)-1-hydroxybutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenol
  • 2-[[[9-isopropyl-2-[[(1r)-1-methylolpropyl]amino]purin-6-yl]amino]methyl]phenol
  • 6-(2-hydroxybenzylamino)-2-((1r)-(hydroxymethyl)propyl)amino)-9-isopropylpurine
  • ck9
  • olomoucine ii
InChIKey NDUVSANREQEDRE-CQSZACIVSA-N
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