2-{[4-Amino-3-(3-Hydroxy-1-Propyn-1-Yl)-1H-Pyrazolo[3,4-D]Pyrimidin-1-Yl]Methyl}-5-Methyl-3-(2-Methylphenyl)-4(3H)-Quinazolinone

Molecule SVG Image

Properties Simple | Detailed

Formula C25H21N7O2+
IUPAC Name 2-[[4-amino-3-(3-hydroxyprop-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
Molecular Mass 451.480 g·mol−1
Heat of Formation 431.1 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 527.05 Å 3
Surface Area 440.12 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey GJBJSDBBRWPDBE-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N