Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate
Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate structure
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Common Name | Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate | ||
|---|---|---|---|---|
| CAS Number | 778-97-2 | Molecular Weight | 227.28300 | |
| Density | 1.27g/cm3 | Boiling Point | 379.2ºC at 760mmHg | |
| Molecular Formula | C9H13N3O2S | Melting Point | 104-106°C | |
| MSDS | N/A | Flash Point | 183.1ºC | |
Summary: Chinese name: 2-乙硫基-4-氨基嘧啶-5-羧酸乙酯, English name: ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate, CAS number: 778-97-2, molecular formula: C9H13N3O2S, molecular weight: 227.28300. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.27g/cm3 |
|---|---|
| Boiling Point | 379.2ºC at 760mmHg |
| Melting Point | 104-106°C |
| Molecular Formula | C9H13N3O2S |
| Molecular Weight | 227.28300 |
| Flash Point | 183.1ºC |
| Exact Mass | 227.07300 |
| PSA | 103.40000 |
| LogP | 1.92870 |
| Index of Refraction | 1.575 |
| InChIKey | ODFLPYCOQXPONS-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1cnc(SCC)nc1N |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2933599090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Ethyl 4-amino-2... CAS#:778-97-2 |
| Literature: Journal of the American Chemical Society, , vol. 52, p. 1580,1583 Recueil des Travaux Chimiques des Pays-Bas, , vol. 49, p. 197,199 |
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Ethyl 4-amino-2... CAS#:778-97-2 |
| Literature: Journal of Organic Chemistry, , vol. 23, p. 1738,1740 |
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Ethyl 4-amino-2... CAS#:778-97-2 |
| Literature: Justus Liebigs Annalen der Chemie, , vol. 588, p. 45,56 |
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Ethyl 4-amino-2... CAS#:778-97-2 |
| Literature: Archives of Biochemistry, , vol. 74, p. 362,363, 364 |
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Ethyl 4-amino-2... CAS#:778-97-2 |
| Literature: Chemical and Pharmaceutical Bulletin, , vol. 18, p. 1003 - 1007 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933599090 |
|---|---|
| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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|
Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
|
|
Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-ethylsulfanyl-4-amino-pyrimidine-5-carboxylic acid ethyl ester |
| 4-Amino-2-ethylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester |
| 2-Aethylmercapto-4-amino-pyrimidin-5-carbonsaeure-aethylester |
| MFCD00047375 |
| 4-Amino-5-carbethoxy-2-ethylmercaptopyrimidine |
| Ethyl-4-amino-2-ethylthio-5-pyrimidin-carboxylat |
| 2-Aethylmercapto-6-amino-pyrimidin-5-carbonsaeure-aethylester |
| ethyl 4-amino-2-ethylsulfanyl-pyrimidine-5-carboxylate |
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 ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate? |
| A: SMILES notation of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(SCC)nc1N. |
| Q: What is the InChIKey of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate? |
| A: InChIKey of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate is ODFLPYCOQXPONS-UHFFFAOYSA-N. |
| Q: What is the molecular formula of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate? |
| A: Molecular formula of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate is C9H13N3O2S. |
| Q: What is the molecular weight of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate? |
| A: Molecular weight of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate is 227.28300. |
| Q: What is the CAS number of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate? |
| A: CAS number of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate is 778-97-2. |
| Q: What is the boiling point of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate? |
| A: Boiling point of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate is 379.2ºC at 760mmHg. |
| Q: What is the LogP of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate? |
| A: LogP of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate is 1.92870. |
| Q: What is the polar surface area (PSA) of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate? |
| A: Polar surface area (PSA) of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate is 103.40000. |
| Q: What is the melting point of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate? |
| A: Melting point of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate is 104-106°C. |
| Q: What English synonyms does ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate have? |
| A: English synonyms of ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate: 2-ethylsulfanyl-4-amino-pyrimidine-5-carboxylic acid ethyl ester, 4-Amino-2-ethylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester, 2-Aethylmercapto-4-amino-pyrimidin-5-carbonsaeure-aethylester, MFCD00047375, 4-Amino-5-carbethoxy-2-ethylmercaptopyrimidine, Ethyl-4-amino-2-ethylthio-5-pyrimidin-carboxylat, 2-Aethylmercapto-6-amino-pyrimidin-5-carbonsaeure-aethylester, ethyl 4-amino-2-ethylsulfanyl-pyrimidine-5-carboxylate. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |