Cas no 89985-44-4 (4-Pyrimidinecarboxylic acid, 3-ethylhexahydro-2,6-dioxo-)
89985-44-4 structure
Product Name:4-Pyrimidinecarboxylic acid, 3-ethylhexahydro-2,6-dioxo-
CAS No:89985-44-4
MF:C7H10N2O4
MW:186.165301799774
CID:584093
PubChem ID:13205028
Update Time:2025-04-19
4-Pyrimidinecarboxylic acid, 3-ethylhexahydro-2,6-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinecarboxylic acid, 3-ethylhexahydro-2,6-dioxo-
- 3-ethyl-2,6-dioxo-1,3-diazinane-4-carboxylic acid
- 89985-44-4
- DTXSID20527502
- 3-Ethyl-2,6-dioxohexahydropyrimidine-4-carboxylic acid
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- Inchi： 1S/C7H10N2O4/c1-2-9-4(6(11)12)3-5(10)8-7(9)13/h4H,2-3H2,1H3,(H,11,12)(H,8,10,13)
- InChI Key： RNZHZCDCWKGSLB-UHFFFAOYSA-N
- SMILES： OC(C1CC(NC(N1CC)=O)=O)=O
Computed Properties
- Exact Mass: 186.06405680g/mol
- Monoisotopic Mass: 186.06405680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 263
- 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
- XLogP3: -1
- Topological Polar Surface Area: 86.7?2
4-Pyrimidinecarboxylic acid, 3-ethylhexahydro-2,6-dioxo- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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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
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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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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