1-[4-(4-Amino-7-Cyclopentyl-7H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)Phenyl]-3-Benzylurea
Properties
| Property | Value |
|---|---|
| Formula | C25H26N6O |
| IUPAC Name | 1-[4-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-7-ium-5-yl)phenyl]-3-benzyl-urea |
| Molecular Mass | 426.514 g·mol−1 |
| Heat of Formation | 178.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.48 ± 1.08 D |
| Volume | 511.19 Å 3 |
| Surface Area | 453.23 Å 2 |
| HOMO Energy | -8.26 ± 0.55 eV |
| LUMO Energy | -0.27 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | URGKVSPXHKAWNJ-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |