HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 71283206Generated: November 3, 2026
(S)-6-((1-amino-1-oxopropan-2-yl)amino)-2-(4-(benzo[d][1,3]dioxol-5-yloxy)phenyl)pyrimidine-4-carboxamide
https://huagongshe.com/en/chemical/71283206
Identifiers & Physical Properties
| Molecular formula | C21H19N5O5 |
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| Average molar mass | 421.4 g/mol |
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| Monoisotopic mass | 421.13861872 g/mol |
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| SMILES | C[C@H](Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc4c(c3)OCO4)cc2)n1)C(N)=O |
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| InChIKey | VLXRAZFXSRXIRS-NSHDSACASA-N |
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| PubChem CID | 71283206 |
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| ChEMBL | CHEMBL3981100 |
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Chemical & Physical Properties
| XLogP | 2.1 |
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| Topological polar surface area | 152 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 644 |
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![(S)-6-((1-amino-1-oxopropan-2-yl)amino)-2-(4-(benzo[d][1,3]dioxol-5-yloxy)phenyl)pyrimidine-4-carboxamide molecular structure](/img/chemical/71283206.png)