HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 161850737Generated: October 30, 2026
5-(aminochloranuidylmethyl)-4,6-dimethylpyridin-2-amine;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxylate
https://huagongshe.com/en/chemical/161850737
Identifiers & Physical Properties
| Molecular formula | C47H46Cl3N12O3- |
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| Average molar mass | 933.3 g/mol |
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| SMILES | CC1=CC(=NC(=C1CNC(=O)C2=NC(=NC=C2)CC3=CC4=CC(=CN=C4C=C3)Cl)C)N.CC1=CC(=NC(=C1C[Cl-]N)C)N.COC(=O)C1=NC(=NC=C1)CC2=CC3=CC(=CN=C3C=C2)Cl |
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| InChIKey | YWTUKDHLDXWDLG-UHFFFAOYSA-N |
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| PubChem CID | 161850737 |
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Chemical & Physical Properties
| Topological polar surface area | 237 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 15 |
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| Rotatable bonds | 10 |
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| Heavy atoms | 65 |
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| Formal charge | -1 |
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| Complexity | 1,150 |
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![5-(aminochloranuidylmethyl)-4,6-dimethylpyridin-2-amine;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide;methyl 2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxylate molecular structure](/img/chemical/161850737.png)