Cas no 56408-70-9 (2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-1,3-dimethyl-)
56408-70-9 structure
Product Name:2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-1,3-dimethyl-
CAS No:56408-70-9
MF:C6H8N2O5
MW:188.138121604919
CID:348969
PubChem ID:1201402
Update Time:2025-04-19
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-1,3-dimethyl-
- 5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione
- 56408-70-9
- DTXSID10360884
- AKOS006294707
- AQ-917/42753942
- 5,5-dihydroxy-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
-
- Inchi： 1S/C6H8N2O5/c1-7-3(9)6(12,13)4(10)8(2)5(7)11/h12-13H,1-2H3
- InChI Key： QYIATEHJKKPHTE-UHFFFAOYSA-N
- SMILES： OC1(C(N(C)C(N(C)C1=O)=O)=O)O
Computed Properties
- Exact Mass: 188.04334
- Monoisotopic Mass: 188.04332136g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 271
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.1
- Topological Polar Surface Area: 98.2?2
Experimental Properties
- PSA: 98.15
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-1,3-dimethyl- Related Literature
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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