HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86603268Generated: October 26, 2026
3-[3-(2-Chloro-pyrimidin-4-yl)-benzylamino]-pyrrolidine-1-carboxylic acid tert-butyl ester
https://huagongshe.com/en/chemical/86603268
Identifiers & Physical Properties
| Molecular formula | C20H25ClN4O2 |
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| Average molar mass | 388.9 g/mol |
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| SMILES | CC(C)(C)OC(=O)N1CCC(NCc2cccc(-c3ccnc(Cl)n3)c2)C1 |
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| InChIKey | OWYNUQDOYHVACI-UHFFFAOYSA-N |
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| PubChem CID | 86603268 |
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Chemical & Physical Properties
| XLogP | 3.3 |
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| Topological polar surface area | 67.4 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 27 |
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| Formal charge | 0 |
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| Complexity | 499 |
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![3-[3-(2-Chloro-pyrimidin-4-yl)-benzylamino]-pyrrolidine-1-carboxylic acid tert-butyl ester molecular structure](/img/chemical/86603268.png)