5-[(3S)-3-(2-Methoxy-4-Biphenylyl)-1-Butyn-1-Yl]-6-Methyl-2,4-Pyrimidinediamine
Properties
| Property | Value |
|---|---|
| Formula | C22H22N4O |
| IUPAC Name | 5-[(3s)-3-(3-methoxy-4-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine |
| Molecular Mass | 358.436 g·mol−1 |
| Heat of Formation | 288.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.74 ± 1.08 D |
| Volume | 442.83 Å 3 |
| Surface Area | 396.23 Å 2 |
| HOMO Energy | -8.49 ± 0.55 eV |
| LUMO Energy | 2.87 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YYCPXVRHQUEVAW-CQSZACIVSA-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 |