4-{[6-(Cyclohexylmethoxy)-7H-Purin-2-Yl]Amino}-N,N-Diethylbenzamide

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Properties Simple | Detailed

Formula C23H30N6O2
IUPAC Name 4-[[6-(cyclohexylmethoxy)purin-7-ium-6-ylium-2-yl]amino]-n,n-diethyl-benzamide
Molecular Mass 422.523 g·mol−1
Heat of Formation -87.3 ± 16.7 kJ·mol−1
Dipole Moment 8.78 ± 1.08 D
Volume 527.3 Å 3
Surface Area 427.48 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(6-cyclohexylmethoxy-9h-purin-2-ylamino)-n,n-diethylbenzamide
  • 4-[[6-(cyclohexylmethoxy)-7h-purin-2-yl]amino]-n,n-diethyl-benzamide
  • 4-[[6-(cyclohexylmethoxy)-7h-purin-2-yl]amino]-n,n-diethylbenzamide
  • cdk2 inhibitor iv, nu6140
InChIKey XHEQSRJCJTWWAH-UHFFFAOYSA-N
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