Cas no 67934-78-5 (2,4,6(1H,3H,5H)-Pyrimidinetrione,5-hydroxy-1,3-dimethyl-)
67934-78-5 structure
Product Name:2,4,6(1H,3H,5H)-Pyrimidinetrione,5-hydroxy-1,3-dimethyl-
CAS No:67934-78-5
MF:C6H8N2O4
MW:172.138721466064
CID:521932
PubChem ID:318038
Update Time:2025-04-19
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-hydroxy-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-hydroxy-1,3-dimethyl-
- 1.3-Dimethyl-dialursaeure
- 5,3-DIMETHYL-2,4(1H,3H)-PYRIMIDINEDIONE
- 5-hydroxy-1,3-dimethyl-barbituric acid
- 5-Hydroxy-1,3-dimethyl-barbitursaeure
- AC1L7X7Y
- NSC252064
- 67934-78-5
- DTXSID40312295
-
- Inchi： 1S/C6H8N2O4/c1-7-4(10)3(9)5(11)8(2)6(7)12/h9-10H,1-2H3
- InChI Key： XTJMNYLFCZDRHU-UHFFFAOYSA-N
- SMILES： OC1=C(C(N(C)C(N1C)=O)=O)O
Computed Properties
- Exact Mass: 172.04844
- Monoisotopic Mass: 172.04840674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 283
- 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: -0.9
- Topological Polar Surface Area: 81.1?2
Experimental Properties
- PSA: 81.08
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-hydroxy-1,3-dimethyl- Related Literature
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1. 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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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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