Cas no 7358-61-4 (2,4,6(1H,3H,5H)-Pyrimidinetrione,1,3,5-trimethyl-)
7358-61-4 structure
Product Name:2,4,6(1H,3H,5H)-Pyrimidinetrione,1,3,5-trimethyl-
CAS No:7358-61-4
MF:C7H10N2O3
MW:170.165901660919
CID:569986
PubChem ID:81820
Update Time:2025-04-19
2,4,6(1H,3H,5H)-Pyrimidinetrione,1,3,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione,1,3,5-trimethyl-
- 1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
- 1,3,5-trimethylbarbituric acid
- 1,3,5,trimethylbarbituric acid
- 1,3,5-Trimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- 1,3,5-trimethyl-barbituric acid
- 1,3,5-Trimethyl-barbitursaeure
- 1,3,5-trimethylpyrimidine-2,4,6(1h,3h,5h)-trione
- 1,3,5-trimethyl-pyrimidine-2,4,6-trione
- AG-G-91223
- Barbituric
- BRN 0149485
- EINECS 230-892-9
- NSC 120716
- 7358-61-4
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3,5-trimethyl-
- AKOS006277908
- 2,6(1H,3H,5H)-Pyrimidinetrione, 1,3,5-trimethyl-
- Barbituric acid, 1,3,5-trimethyl-
- DTXSID80223775
- Barbituric acid,3,5-trimethyl-
- OTSKHUNLOQPIGN-UHFFFAOYSA-N
- SCHEMBL200674
- NSC-120716
- NS00037534
- NSC120716
-
- Inchi： 1S/C7H10N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h4H,1-3H3
- InChI Key： OTSKHUNLOQPIGN-UHFFFAOYSA-N
- SMILES： O=C1C(C)C(N(C)C(N1C)=O)=O
Computed Properties
- Exact Mass: 170.0692
- Monoisotopic Mass: 170.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 237
- 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: -0.2
- Topological Polar Surface Area: 57.7?2
Experimental Properties
- PSA: 57.69
2,4,6(1H,3H,5H)-Pyrimidinetrione,1,3,5-trimethyl- Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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