2-Amino-N-Cyclobutyl-4-[2,4-Dichloro-6-(4,4,4-Trifluorobutoxy)Phenyl]-5,7-Dihydro-6H-Pyrrolo[3,4-D]Pyrimidine-6-Carboxamide
Properties
Property | Value |
---|---|
Formula | C21H22Cl2F3N5O2 |
IUPAC Name | 2-amino-n-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide |
Molecular Mass | 504.333 g·mol−1 |
Heat of Formation | -870.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.82 ± 1.08 D |
Volume | 537.64 Å 3 |
Surface Area | 425.66 Å 2 |
HOMO Energy | -9.02 ± 0.55 eV |
LUMO Energy | 2.14 ± eV |
Point Group Symmetry | C1 |
InChIKey | OQTGWGQVJCWDDT-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H F O N |