6-Ethyl-5-{3-[3-(5-Isoquinolinyl)-5-Methoxyphenyl]-1-Butyn-1-Yl}-2,4-Pyrimidinediamine
Properties
| Property | Value |
|---|---|
| Formula | C26H25N5O |
| IUPAC Name | 6-ethyl-5-[(3s)-3-[3-(5-isoquinolyl)-5-methoxy-phenyl]but-1-ynyl]pyrimidine-2,4-diamine |
| Molecular Mass | 423.510 g·mol−1 |
| Heat of Formation | 366.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.10 ± 1.08 D |
| Volume | 521.8 Å 3 |
| Surface Area | 449.5 Å 2 |
| HOMO Energy | -8.46 ± 0.55 eV |
| LUMO Energy | 2.06 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MGLLCDAARSVGLO-MRXNPFEDSA-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 |