HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178463516Generated: November 4, 2026
tert-butyl 4-[[4-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazine-1-carboxylate
https://huagongshe.com/en/chemical/178463516
Identifiers & Physical Properties
| Molecular formula | C30H36N6O2 |
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| Average molar mass | 512.6 g/mol |
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| Monoisotopic mass | 512.28997441 g/mol |
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| SMILES | CC(Nc1ncnc2[nH]c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc12)c1ccccc1 |
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| InChIKey | NBUDPAPDYCZIKC-UHFFFAOYSA-N |
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| PubChem CID | 72346308 |
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Chemical & Physical Properties
| XLogP | 5 |
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| Topological polar surface area | 86.4 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 38 |
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| Formal charge | 0 |
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| Complexity | 752 |
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![tert-butyl 4-[[4-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazine-1-carboxylate molecular structure](/img/chemical/178463516.png)