5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride
![5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride Structure](https://image.chemsrc.com/caspic/019/116608-81-2.png)
5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride structure
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Common Name | 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride | ||
|---|---|---|---|---|
| CAS Number | 116608-81-2 | Molecular Weight | 428.37900 | |
| Density | N/A | Boiling Point | 653.4ºC at 760mmHg | |
| Molecular Formula | C18H23Cl2N5OS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 348.9ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Boiling Point | 653.4ºC at 760mmHg |
|---|---|
| Molecular Formula | C18H23Cl2N5OS |
| Molecular Weight | 428.37900 |
| Flash Point | 348.9ºC |
| Exact Mass | 427.10000 |
| PSA | 115.25000 |
| LogP | 4.17570 |
| Vapour Pressure | 2.6E-17mmHg at 25°C |
| InChIKey | PGGLPJCSJNFSDL-UHFFFAOYSA-N |
| SMILES | Cc1[nH]cnc1CSCCNc1ncc(Cc2ccccc2)c(=O)[nH]1.Cl.Cl |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~62%
5-benzyl-2-[2-[... CAS#:116608-81-2 |
| Literature: Brown; Blakemore; Durant; Emmett; Ganellin; Parsons; Rawlings; Walker European Journal of Medicinal Chemistry, 1988 , vol. 23, # 1 p. 53 - 62 |
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~%
5-benzyl-2-[2-[... CAS#:116608-81-2 |
| Literature: Brown; Blakemore; Durant; Emmett; Ganellin; Parsons; Rawlings; Walker European Journal of Medicinal Chemistry, 1988 , vol. 23, # 1 p. 53 - 62 |
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~%
5-benzyl-2-[2-[... CAS#:116608-81-2 |
| Literature: Brown; Blakemore; Durant; Emmett; Ganellin; Parsons; Rawlings; Walker European Journal of Medicinal Chemistry, 1988 , vol. 23, # 1 p. 53 - 62 |
![4-[[(2-aminoethyl)thio]methyl]-5-methylimidazole structure](https://image.chemsrc.com/caspic/300/38585-67-0.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride? |
| A: SMILES notation of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride is Cc1[nH]cnc1CSCCNc1ncc(Cc2ccccc2)c(=O)[nH]1.Cl.Cl. |
| Q: What is the CAS number of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride? |
| A: CAS number of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride is 116608-81-2. |
| Q: What is the molecular weight of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride? |
| A: Molecular weight of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride is 428.37900. |
| Q: What is the English name of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride? |
| A: The English name of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride is 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride. |
| Q: What is the Chinese name of 116608-81-2? |
| A: Chinese name of 116608-81-2 is 116608-81-2. |
| Q: What are the upstream materials of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride? |
| A: Related upstream materials(CAS) of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride: 73717-80-3;38585-67-0;25912-36-1. |
| Q: What is the InChIKey of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride? |
| A: InChIKey of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride is PGGLPJCSJNFSDL-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride? |
| A: Molecular formula of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride is C18H23Cl2N5OS. |
| Q: What is the boiling point of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride? |
| A: Boiling point of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride is 653.4ºC at 760mmHg. |
| Q: What is the polar surface area (PSA) of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride? |
| A: Polar surface area (PSA) of 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one,dihydrochloride is 115.25000. |