3-({2-[(2-Amino-6-Methyl-4-Pyrimidinyl)Ethynyl]Benzyl}Amino)-1,3-Oxazol-2(3H)-One
Properties
| Property | Value |
|---|---|
| Formula | C17H15N5O2 |
| IUPAC Name | 3-[[2-[2-(2-amino-6-methyl-pyrimidin-4-yl)ethynyl]phenyl]methylamino]oxazole-1,3-diium-2-one |
| Molecular Mass | 321.333 g·mol−1 |
| Heat of Formation | 316.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.26 ± 1.08 D |
| Volume | 377.3 Å 3 |
| Surface Area | 334.08 Å 2 |
| HOMO Energy | -9.15 ± 0.55 eV |
| LUMO Energy | 1.85 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZUJWSOPIDUWELP-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 |