HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86636921Generated: October 27, 2026
Tris(1,1-dimethylethyl) 2-{2-chloro-5-fluoro-6-[(1-methylethyl)amino]-4-pyrimidinyl}-1,1,2-hydrazinetricarboxylate
https://huagongshe.com/en/chemical/86636921
Identifiers & Physical Properties
| Molecular formula | C22H35ClFN5O6 |
|---|
| Average molar mass | 520 g/mol |
|---|
| SMILES | CC(C)Nc1nc(Cl)nc(N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1F |
|---|
| InChIKey | RHVVAGIDUHMONN-UHFFFAOYSA-N |
|---|
| PubChem CID | 86636921 |
|---|
Chemical & Physical Properties
| XLogP | 5.7 |
|---|
| Topological polar surface area | 123 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 10 |
|---|
| Rotatable bonds | 9 |
|---|
| Heavy atoms | 35 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 737 |
|---|
![Tris(1,1-dimethylethyl) 2-{2-chloro-5-fluoro-6-[(1-methylethyl)amino]-4-pyrimidinyl}-1,1,2-hydrazinetricarboxylate molecular structure](/img/chemical/86636921.png)