8-(2,5-Dimethoxybenzyl)-2-Fluoro-9-(4-Pentyn-1-Yl)-9H-Purin-6-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C19H20FN5O2
IUPAC Name 8-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-9-pent-4-ynyl-purin-9-ium-6-amine
Molecular Mass 369.393 g·mol−1
Heat of Formation 42.4 ± 16.7 kJ·mol−1
Dipole Moment 6.19 ± 1.08 D
Volume 424.6 Å 3
Surface Area 371.3 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 8-(2,5-dimethoxy-benzyl)-2-fluoro-9-pent-9h-purin-6-ylamine
  • 8-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-9-pent-4-ynyl-6-purinamine
  • 8-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-9-pent-4-ynyl-purin-6-amine
  • [8-(2,5-dimethoxybenzyl)-2-fluoro-9-pent-4-ynyl-purin-6-yl]amine
  • puz
InChIKey RMOYVWKKOKERSW-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N