2-[(Trans-4-Aminocyclohexyl)Amino]-4-{[3-(Trifluoromethyl)Phenyl]Amino}Pyrido[4,3-D]Pyrimidin-5(6H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C20H21F3N6O+
IUPAC Name 2-[(4-aminocyclohexyl)amino]-4-[3-(trifluoromethyl)anilino]pyrido[4,3-d]pyrimidin-5-one
Molecular Mass 418.416 g·mol−1
Heat of Formation -631.5 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 464.49 Å 3
Surface Area 410.6 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
InChIKey VWACYUAZKMPNOH-JOCQHMNTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F