6-Ethyl-5-{3-[3-Methoxy-5-(4-Pyridinyl)Phenyl]-1-Butyn-1-Yl}-2,4-Pyrimidinediamine
Properties
| Property | Value |
|---|---|
| Formula | C22H23N5O |
| IUPAC Name | 6-ethyl-5-[(3r)-3-[3-methoxy-5-(4-pyridyl)phenyl]but-1-ynyl]pyrimidine-2,4-diamine |
| Molecular Mass | 373.451 g·mol−1 |
| Heat of Formation | 298.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.51 ± 1.08 D |
| Volume | 462.56 Å 3 |
| Surface Area | 408.63 Å 2 |
| HOMO Energy | -8.47 ± 0.55 eV |
| LUMO Energy | 2.49 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KEPLBUUTAQCZOE-AWEZNQCLSA-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 |