HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86617543Generated: October 25, 2026
2-Chloro-9-isopropyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one
https://huagongshe.com/en/chemical/86617543
Identifiers & Physical Properties
| Molecular formula | C11H15ClN4O |
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| Average molar mass | 254.71 g/mol |
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| SMILES | CC(C)N1CCC(=O)N(C)c2cnc(Cl)nc21 |
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| InChIKey | UNASNWMSJKUIDZ-UHFFFAOYSA-N |
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| PubChem CID | 86617543 |
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Chemical & Physical Properties
| XLogP | 1.5 |
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| Topological polar surface area | 49.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 17 |
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| Formal charge | 0 |
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| Complexity | 299 |
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![2-Chloro-9-isopropyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one molecular structure](/img/chemical/86617543.png)