N~4~-Cyclohexyl-5-(4-Fluorophenyl)-7H-Pyrrolo[2,3-D]Pyrimidine-2,4-Diamine

Molecule SVG Image

Properties Simple | Detailed

Formula C18H20FN5
IUPAC Name n4-cyclohexyl-5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-7-ium-5-ide-2,4-diamine
Molecular Mass 325.383 g·mol−1
Heat of Formation 19.3 ± 16.7 kJ·mol−1
Dipole Moment 0.98 ± 1.08 D
Volume 384.48 Å 3
Surface Area 331.79 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry C1
InChIKey QQJUCGSYNBAQMI-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F N