6-Chloro-9-(4-Methoxy-3,5-Dimethylpyridin-2-Ylmethyl)-9H-Purin-2-Ylamine

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Properties Simple | Detailed

Formula C14H16ClN6O
IUPAC Name 6-chloro-9-[(4-methoxy-3,5-dimethyl-pyridin-1-ium-3-id-2-yl)methyl]purine-1,3,7-triium-2-amine
Molecular Mass 319.769 g·mol−1
Heat of Formation 163.1 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 355.51 Å 3
Surface Area 315.87 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-2-purinamine
  • 6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]purin-2-amine
  • 6-chloro-9-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]purin-2-amine
  • [6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]purin-2-yl]amine
InChIKey QULDDKSCVCJTPV-UHFFFAOYSA-N
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Elements H C N O Cl