Cas no 16823-36-2 (2,4,5(3H)-Pyrimidinetrione,6-aminodihydro-)
16823-36-2 structure
Product Name:2,4,5(3H)-Pyrimidinetrione,6-aminodihydro-
CAS No:16823-36-2
MF:C4H5N3O3
MW:143.100800275803
CID:121911
PubChem ID:45080455
Update Time:2025-04-18
2,4,5(3H)-Pyrimidinetrione,6-aminodihydro- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,5(3H)-Pyrimidinetrione,6-aminodihydro-
- 2,4,5(3H)-Pyrimidinetrione, 6-aminodihydro- (9CI)
- 16823-36-2
- 6-Aminodihydropyrimidine-2,4,5(3H)-trione
-
- Inchi： 1S/C4H5N3O3/c5-2-1(8)3(9)7-4(10)6-2/h2H,5H2,(H2,6,7,9,10)
- InChI Key： CZNRFQQGSFTDLH-UHFFFAOYSA-N
- SMILES： O=C1C(NC(NC1N)=O)=O
Computed Properties
- Exact Mass: 143.03315
- Monoisotopic Mass: 143.033
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 212
- 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: 101A^2
- XLogP3: -2
Experimental Properties
- PSA: 101.29
2,4,5(3H)-Pyrimidinetrione,6-aminodihydro- Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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