2-{[3-(1,4-Diazepan-1-Yl)Phenyl]Amino}-4-[4-Methyl-2-(Methylamino)-1,3-Thiazol-5-Yl]-5-Pyrimidinecarbonitrile
Properties
| Property | Value |
|---|---|
| Formula | C21H24N8S |
| IUPAC Name | 2-[3-(1,4-diazepan-1-yl)anilino]-4-[4-methyl-2-(methylamino)thiazol-5-yl]pyrimidine-5-carbonitrile |
| Molecular Mass | 420.534 g·mol−1 |
| Heat of Formation | 507.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.36 ± 1.08 D |
| Volume | 492.4 Å 3 |
| Surface Area | 416.5 Å 2 |
| HOMO Energy | -8.22 ± 0.55 eV |
| LUMO Energy | 0.96 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BKOYUSKBPMSUBK-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S N |