HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67775191Generated: November 3, 2026
N-(2-amino-4-(tert-butyl)phenyl)-3-(3-((((3aR,4R,6R,6aS)-6-(4-((2,4-dimethoxybenzyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)methyl)(ethyl)amino)cyclobutyl)propanamide
https://huagongshe.com/en/chemical/67775191
Identifiers & Physical Properties
| Molecular formula | C43H59N7O5 |
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| Average molar mass | 754 g/mol |
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| Monoisotopic mass | 753.45776801 g/mol |
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| SMILES | CCN(C[C@H]1C[C@@H](n2ccc3c(NCc4ccc(OC)cc4OC)ncnc32)[C@@H]2OC(C)(C)O[C@H]12)C1CC(CCC(=O)Nc2ccc(C(C)(C)C)cc2N)C1 |
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| InChIKey | UUHNKBYVRVUIQK-WHZKTMNISA-N |
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| PubChem CID | 67775191 |
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Chemical & Physical Properties
| XLogP | 6.4 |
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| Topological polar surface area | 138 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 10 |
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| Rotatable bonds | 15 |
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| Heavy atoms | 55 |
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| Formal charge | 0 |
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| Complexity | 1,260 |
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![N-(2-amino-4-(tert-butyl)phenyl)-3-(3-((((3aR,4R,6R,6aS)-6-(4-((2,4-dimethoxybenzyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)methyl)(ethyl)amino)cyclobutyl)propanamide molecular structure](/img/chemical/67775191.png)