Cas no 168428-18-0 (5-CARBETHOXY-3-ETHYLURACIL)
5-CARBETHOXY-3-ETHYLURACIL structure
Product Name:5-CARBETHOXY-3-ETHYLURACIL
CAS No:168428-18-0
MF:C9H12N2O4
MW:212.202582359314
CID:905051
PubChem ID:23238148
Update Time:2025-04-19
5-CARBETHOXY-3-ETHYLURACIL Chemical and Physical Properties
Names and Identifiers
-
- 5-CARBETHOXY-3-ETHYLURACIL
- ethyl 3-ethyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
- 168428-18-0
- SCHEMBL24170383
- Ethyl 1-ethyl-1,2,3,6-tetrahydro-2,6-dioxo-5-pyrimidinecarboxylate
- Ethyl 3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- TQP0386
- DTXSID90631468
- DB-416143
-
- Inchi： 1S/C9H12N2O4/c1-3-11-7(12)6(5-10-9(11)14)8(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,14)
- InChI Key： NOCBPBUSWKOOBH-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CNC(N(C1=O)CC)=O)=O
Computed Properties
- Exact Mass: 212.07976
- Monoisotopic Mass: 212.07970687g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 335
- 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
- Topological Polar Surface Area: 75.7?2
Experimental Properties
- PSA: 75.71
5-CARBETHOXY-3-ETHYLURACIL Related Literature
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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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2. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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