5-acetyl-1,3-diazinane-2,4,6-trione
5-acetyl-1,3-diazinane-2,4,6-trione structure
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Common Name | 5-acetyl-1,3-diazinane-2,4,6-trione | ||
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| CAS Number | 58713-02-3 | Molecular Weight | 170.12300 | |
| Density | 1.426 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C6H6N2O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-acetyl-1,3-diazinane-2,4,6-trione |
|---|---|
| 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 | 1.426 g/cm3 |
|---|---|
| Molecular Formula | C6H6N2O4 |
| Molecular Weight | 170.12300 |
| Exact Mass | 170.03300 |
| PSA | 92.34000 |
| InChIKey | JYCJAUHMORTXOQ-UHFFFAOYSA-N |
| SMILES | CC(=O)C1C(=O)NC(=O)NC1=O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933540000 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~84%
5-acetyl-1,3-di... CAS#:58713-02-3 |
| Literature: Neumann, Donna M.; Cammarata, Amy; Backes, Gregory; Palmer, Glen E.; Jursic, Branko S. Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 2 p. 813 - 826 |
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~75%
5-acetyl-1,3-di... CAS#:58713-02-3 |
| Literature: Archana; Srivastava, Virendra Kishor; Kumar, Ashok Arzneimittel-Forschung/Drug Research, 2002 , vol. 52, # 11 p. 787 - 791 |
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~%
5-acetyl-1,3-di... CAS#:58713-02-3 |
| Literature: Siddiqui, Zeba N.; Mohammed Musthafa; Ahmad, Anis; Khan, Asad U. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 10 p. 2860 - 2865 |
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~92%
5-acetyl-1,3-di... CAS#:58713-02-3 |
| Literature: Jursic, Branko S; Neumann, Donna M Tetrahedron Letters, 2001 , vol. 42, # 48 p. 8435 - 8439 |
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~%
5-acetyl-1,3-di... CAS#:58713-02-3 |
| Literature: Biltz; Wittek Chemische Berichte, 1921 , vol. 54, p. 1039 |
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~%
5-acetyl-1,3-di... CAS#:58713-02-3 |
| Literature: Grimaux Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1879 , vol. 88, p. 85 Bulletin de la Societe Chimique de France, 1879 , vol. <2> 31, p. 146 Full Text Show Details Conrad; Guthzeit Chemische Berichte, 1882 , vol. 15, p. 2842 Justus Liebigs Annalen der Chemie, 1884 , vol. 222, p. 250 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
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| DownStream 3 | |
CAS#:511-67-1
CAS#:2518-72-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933540000 |
|---|---|
| Summary | 2933540000 other derivatives of malonylurea (barbituric acid); salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。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: Antibacterial activity against Bacillus cereus ATCC 1178 after 24 hrs by broth microd...
Source: ChEMBL
Target: Bacillus cereus
External Id: CHEMBL4143583
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Name: Antibacterial activity against Staphylococcus aureus ATCC 25923 after 24 hrs by broth...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL4143584
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Name: Antibacterial activity against Escherichia coli ATCC 25922 after 24 hrs by broth micr...
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL4143585
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Name: Antiproliferative activity against human MCF7 cells at 30 uM after 72 hrs by MTT assa...
Source: ChEMBL
Target: MCF7
External Id: CHEMBL4143579
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Name: Antiproliferative activity against NHDF at 30 uM after 72 hrs by MTT assay relative t...
Source: ChEMBL
Target: NHDF
External Id: CHEMBL4143580
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Name: Antibacterial activity against Klebsiella pneumoniae ATCC 13883 after 24 hrs by broth...
Source: ChEMBL
Target: Klebsiella pneumoniae
External Id: CHEMBL4143586
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 after 24 hrs by brot...
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL4143587
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Name: Antibacterial activity against Salmonella typhimurium ATCC 13311 after 24 hrs by brot...
Source: ChEMBL
Target: Salmonella enterica subsp. enterica serovar Typhimurium
External Id: CHEMBL4143588
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Name: Antibacterial activity against Acinetobacter baumannii LMG 1025 after 24 hrs by broth...
Source: ChEMBL
Target: Acinetobacter baumannii
External Id: CHEMBL4143589
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-Acetyl-barbitursaeure |
| 5-acetyl-2,4,6-trioxo-1,3,5-trihydropyrimidine |
| 5-acetylbarbituric acid |
| Barbituric acid,5-acetyl |
| 5-acetyl-pyrimidine-2,4,6-trione |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 5-acetyl-1,3-diazinane-2,4,6-trione? |
| A: CAS number of 5-acetyl-1,3-diazinane-2,4,6-trione is 58713-02-3. |
| Q: What is the molecular formula of 5-acetyl-1,3-diazinane-2,4,6-trione? |
| A: Molecular formula of 5-acetyl-1,3-diazinane-2,4,6-trione is C6H6N2O4. |
| Q: What are the upstream materials of 5-acetyl-1,3-diazinane-2,4,6-trione? |
| A: Related upstream materials(CAS) of 5-acetyl-1,3-diazinane-2,4,6-trione: 67-52-7;78-39-7;75-36-5;64-19-7;108-24-7;141-82-2;57-13-6. |
| Q: What is the InChIKey of 5-acetyl-1,3-diazinane-2,4,6-trione? |
| A: InChIKey of 5-acetyl-1,3-diazinane-2,4,6-trione is JYCJAUHMORTXOQ-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 5-acetyl-1,3-diazinane-2,4,6-trione? |
| A: Polar surface area (PSA) of 5-acetyl-1,3-diazinane-2,4,6-trione is 92.34000. |
| Q: What is the molecular weight of 5-acetyl-1,3-diazinane-2,4,6-trione? |
| A: Molecular weight of 5-acetyl-1,3-diazinane-2,4,6-trione is 170.12300. |
| Q: What are the downstream products of 5-acetyl-1,3-diazinane-2,4,6-trione? |
| A: Related downstream products(CAS) of 5-acetyl-1,3-diazinane-2,4,6-trione: 511-67-1;2518-72-1;67-52-7. |
| Q: What English synonyms does 5-acetyl-1,3-diazinane-2,4,6-trione have? |
| A: English synonyms of 5-acetyl-1,3-diazinane-2,4,6-trione: 5-Acetyl-barbitursaeure, 5-acetyl-2,4,6-trioxo-1,3,5-trihydropyrimidine, 5-acetylbarbituric acid, Barbituric acid,5-acetyl, 5-acetyl-pyrimidine-2,4,6-trione. |
| Q: What is the English name of 5-acetyl-1,3-diazinane-2,4,6-trione? |
| A: The English name of 5-acetyl-1,3-diazinane-2,4,6-trione is 5-acetyl-1,3-diazinane-2,4,6-trione. |
| Q: What is the SMILES notation of 5-acetyl-1,3-diazinane-2,4,6-trione? |
| A: SMILES notation of 5-acetyl-1,3-diazinane-2,4,6-trione is CC(=O)C1C(=O)NC(=O)NC1=O. |