Cas no 702-47-6 (2,4,6(1H,3H,5H)-Pyrimidinetrione,1,5,5-trimethyl-)
702-47-6 structure
Product Name:2,4,6(1H,3H,5H)-Pyrimidinetrione,1,5,5-trimethyl-
CAS No:702-47-6
MF:C7H10N2O3
MW:170.165901660919
CID:573400
PubChem ID:231279
Update Time:2025-04-19
2,4,6(1H,3H,5H)-Pyrimidinetrione,1,5,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione,1,5,5-trimethyl-
- 1,5,5-trimethyl-1,3-diazinane-2,4,6-trione
- 1,5,5-trimethylbarbituric acid
- 1,5,5-trimethyl-barbituric acid
- 1,5,5-Trimethyl-barbitursaeure
- 1,5,5-trimethylpyrimidine-2,4,6(1h,3h,5h)-trione
- 1,5,5-trimethyl-pyrimidine-2,4,6-trione
- AC1L5LCM
- AC1Q6G9A
- CTK5D2104
- KST-1B9151
- NSC27155
- SureCN200675
- SureCN9299676
- SCHEMBL200675
- 702-47-6
- DTXSID80282665
- NSC-27155
- SCHEMBL9299676
-
- Inchi： 1S/C7H10N2O3/c1-7(2)4(10)8-6(12)9(3)5(7)11/h1-3H3,(H,8,10,12)
- InChI Key： ILIMOFAFBPEQAT-UHFFFAOYSA-N
- SMILES： O=C1C(C)(C)C(NC(N1C)=O)=O
Computed Properties
- Exact Mass: 170.0692
- Monoisotopic Mass: 170.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 270
- 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: 0.4
- Topological Polar Surface Area: 66.5?2
Experimental Properties
- PSA: 66.48
- LogP: -0.01250
2,4,6(1H,3H,5H)-Pyrimidinetrione,1,5,5-trimethyl- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
702-47-6 (2,4,6(1H,3H,5H)-Pyrimidinetrione,1,5,5-trimethyl-) Related Products
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