5-[(3S)-3-Methoxy-3-(3,4,5-Trimethoxyphenyl)-1-Propyn-1-Yl]-6-Methyl-2,4-Pyrimidinediamine
Properties
| Property | Value |
|---|---|
| Formula | C18H22N4O4 |
| IUPAC Name | 5-[(3s)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl]-6-methyl-pyrimidine-2,4-diamine |
| Molecular Mass | 358.392 g·mol−1 |
| Heat of Formation | -224.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.01 ± 1.08 D |
| Volume | 435.65 Å 3 |
| Surface Area | 381.86 Å 2 |
| HOMO Energy | -8.65 ± 0.55 eV |
| LUMO Energy | -0.50 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WGUCJULKGMTPOP-CYBMUJFWSA-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 |