N2-[(1R,2S)-2-Aminocyclohexyl]-N6-(3-Chlorophenyl)-9-Ethyl-9H-Purine-2,6-Diamine

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Properties Simple | Detailed

Formula C19H24ClN7
IUPAC Name n2-[(1r,2s)-2-aminocyclohexyl]-n6-(3-chlorophenyl)-9-ethyl-purin-9-ium-2-ylium-2,6-diamine
Molecular Mass 385.894 g·mol−1
Heat of Formation 250.4 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 457.69 Å 3
Surface Area 389.1 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2s)-2-aminocyclohexyl]-[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]amine
  • cdk1 inhibitor, cgp74514a
  • cgp74514a
  • cgp74514a; n-(cis-2-aminocyclohexyl)-n-(3-chlorophenyl)-9-ethyl-9h-purine-2,6-diamine
  • hsci1_000085
  • k00083
  • n-(cis-2-aminocyclohexyl)-n-(3-chlorophenyl)-9-ethyl-9h-purine-2,6-diamine
  • n-[(1r,2s)-2-aminocyclohexyl]-n'-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine
  • n-[(1r,2s)-2-aminocyclohexyl]-n'-(3-chlorophenyl)-9-ethylpurine-2,6-diamine
InChIKey UTBSBSOBZHXMHI-LSDHHAIUSA-N
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Elements H C N Cl