2-Amino-8-[Trans-4-(2-Hydroxyethoxy)Cyclohexyl]-6-(6-Methoxy-3-Pyridinyl)-4-Methylpyrido[2,3-D]Pyrimidin-7(8H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C22H27N5O4
IUPAC Name 2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-1-ium-3-id-3-yl)-4-methyl-pyrido[2,3-d]pyrimidine-1,3-diium-4a-id-7-one
Molecular Mass 425.481 g·mol−1
Heat of Formation -517.6 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 489.98 Å 3
Surface Area 405.99 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey XDLYKKIQACFMJG-WKILWMFISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N