5-[3-(2,5-Dimethoxyphenyl)-1-Propyn-1-Yl]-6-Propyl-2,4-Pyrimidinediamine
Properties
| Property | Value |
|---|---|
| Formula | C18H22N4O2 |
| IUPAC Name | 5-[3-(2,5-dimethoxyphenyl)prop-1-ynyl]-6-propyl-pyrimidine-2,4-diamine |
| Molecular Mass | 326.393 g·mol−1 |
| Heat of Formation | 15.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.93 ± 1.08 D |
| Volume | 409.4 Å 3 |
| Surface Area | 361.85 Å 2 |
| HOMO Energy | -8.30 ± 0.55 eV |
| LUMO Energy | -0.29 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VSWSZIRWLYCVMG-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 |