HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2118317Generated: November 1, 2026
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate
https://huagongshe.com/en/chemical/2118317
Identifiers & Physical Properties
| CAS No. | 749908-08-5 |
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| Molecular formula | C16H14F3N3O5 |
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| Average molar mass | 385.29 g/mol |
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| Monoisotopic mass | 385.08855504 g/mol |
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| SMILES | Cn1c(N)c(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c(=O)n(C)c1=O |
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| InChIKey | BLUQBRKTENCXAT-UHFFFAOYSA-N |
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| PubChem CID | 2118317 |
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| ChEMBL | CHEMBL2145057 |
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| DTXSID | DTXSID301324995 |
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Chemical & Physical Properties
| XLogP | 1.8 |
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| Topological polar surface area | 110 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 27 |
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| Formal charge | 0 |
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| Complexity | 696 |
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| Solubility | 15.2 [ug/mL] (The mean of the results at pH 7.4) |
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![[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate molecular structure](/img/chemical/2118317.png)