Cas no 1123-21-3 (2,4(1H,3H)-Pyrimidinedione,dihydro-5-hydroxy-5-methyl-)
1123-21-3 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,dihydro-5-hydroxy-5-methyl-
CAS No:1123-21-3
MF:C5H8N2O3
MW:144.128621101379
CID:153980
PubChem ID:533933
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione,dihydro-5-hydroxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione,dihydro-5-hydroxy-5-methyl-
- 5-hydroxy-5-methyl-1,3-diazinane-2,4-dione
- 5-Hydroxy-6-hydrothymine
- 5-hydroxy-5,6-dihydrothymine
- 2,4(1H,3H)-Pyrimidinedione, dihydro-5-hydroxy-5-methyl-
- AKOS006351695
- UIHWKXHRHOBLKQ-UHFFFAOYSA-N
- DTXSID50920724
- 1123-21-3
- Hydrouracil, 5-hydroxy-5-methyl-
- 5-Hydroxydihydrothymine
- 5-Methyl-5,6-dihydropyrimidine-2,4,5-triol
- 5-Hydroxy-5-methyldihydro-2,4(1H,3H)-pyrimidinedione #
- SCHEMBL48327
-
- Inchi： 1S/C5H8N2O3/c1-5(10)2-6-4(9)7-3(5)8/h10H,2H2,1H3,(H2,6,7,8,9)
- InChI Key： UIHWKXHRHOBLKQ-UHFFFAOYSA-N
- SMILES： OC1(C)C(NC(NC1)=O)=O
Computed Properties
- Exact Mass: 144.05354
- Monoisotopic Mass: 144.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 191
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 78.4?2
- Surface Charge: 0
- Tautomer Count: 5
- XLogP3: -1.5
Experimental Properties
- Density: 1.347
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.502
- PSA: 78.43
2,4(1H,3H)-Pyrimidinedione,dihydro-5-hydroxy-5-methyl- Related Literature
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1. EPR spin-trapping studies of radicals generated from the FeII-catalysed degradation of nucleobase, nucleoside, RNA and DNA hydroperoxides??Win F. Ho,Bruce C. Gilbert,Michael J. Davies J. Chem. Soc. Perkin Trans. 2 1997 2525
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