HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 68181663Generated: October 29, 2026
tert-butyl 3-[[1-(2-aminopyrimidin-4-yl)-6-bromo-1H-1,3-benzodiazol-2-yl]oxy]azetidine-1-carboxylate
https://huagongshe.com/en/chemical/68181663
Identifiers & Physical Properties
| Molecular formula | C19H21BrN6O3 |
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| Average molar mass | 461.3 g/mol |
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| Monoisotopic mass | 460.08585 g/mol |
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| SMILES | CC(C)(C)OC(=O)N1CC(Oc2nc3ccc(Br)cc3n2-c2ccnc(N)n2)C1 |
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| InChIKey | QGNHHMHTHNCZBL-UHFFFAOYSA-N |
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| PubChem CID | 68181663 |
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Chemical & Physical Properties
| XLogP | 3.1 |
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| Topological polar surface area | 108 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 29 |
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| Formal charge | 0 |
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| Complexity | 599 |
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![tert-butyl 3-[[1-(2-aminopyrimidin-4-yl)-6-bromo-1H-1,3-benzodiazol-2-yl]oxy]azetidine-1-carboxylate molecular structure](/img/chemical/68181663.png)