HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67775771Generated: October 26, 2026
2-{2-[4-(4-Chloro-3-trifluoromethyl-phenoxy)-phenyl]-ethylamino}-1-methyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one
https://huagongshe.com/en/chemical/67775771
Identifiers & Physical Properties
| Molecular formula | C25H21ClF3N5O2 |
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| Average molar mass | 515.9 g/mol |
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| Monoisotopic mass | 515.1335871 g/mol |
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| SMILES | Cn1cc(Cc2cncnc2)c(=O)nc1NCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1 |
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| InChIKey | GLMBLADSWGUVBQ-UHFFFAOYSA-N |
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| PubChem CID | 67775771 |
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Chemical & Physical Properties
| XLogP | 4.5 |
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| Topological polar surface area | 79.7 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 36 |
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| Formal charge | 0 |
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| Complexity | 810 |
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![2-{2-[4-(4-Chloro-3-trifluoromethyl-phenoxy)-phenyl]-ethylamino}-1-methyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one molecular structure](/img/chemical/67775771.png)