3-({3-[(2-Amino-6-Fluoro-4-Pyridinyl)Methyl]-5-Isopropyl-2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinyl}Carbonyl)-5-Methylbenzonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C22H20FN5O3++
IUPAC Name 3-[3-[(2-amino-6-fluoro-4-pyridyl)methyl]-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl]-5-methyl-benzonitrile
Molecular Mass 421.424 g·mol−1
Heat of Formation -401.8 ± 16.7 kJ·mol−1
Dipole Moment 8.85 ± 1.08 D
Volume 491.07 Å 3
Surface Area 371.29 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 1.50 ± eV
Point Group Symmetry C1
InChIKey SORPAQIMHXALKW-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F