HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57713813Generated: October 26, 2026
5-(but-3-en-1-ynyl)-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo [2,3-d]pyrimidin-2-amine
https://huagongshe.com/en/chemical/57713813
Identifiers & Physical Properties
| Molecular formula | C19H18ClN5O |
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| Average molar mass | 367.8 g/mol |
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| SMILES | C=CC#Cc1cn(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c12 |
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| InChIKey | CIKUXUSRMHQECF-UHFFFAOYSA-N |
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| PubChem CID | 57713813 |
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Chemical & Physical Properties
| XLogP | 3.7 |
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| Topological polar surface area | 78.9 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 26 |
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| Formal charge | 0 |
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| Complexity | 575 |
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![5-(but-3-en-1-ynyl)-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo [2,3-d]pyrimidin-2-amine molecular structure](/img/chemical/57713813.png)