Cas no 15400-52-9 (5-Pyrimidinecarboxylicacid, 2-amino-4-cyano-, ethyl ester)
15400-52-9 structure
Product Name:5-Pyrimidinecarboxylicacid, 2-amino-4-cyano-, ethyl ester
CAS No:15400-52-9
MF:C8H8N4O2
MW:192.17472076416
CID:120956
PubChem ID:45089277
Update Time:2025-04-18
5-Pyrimidinecarboxylicacid, 2-amino-4-cyano-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylicacid, 2-amino-4-cyano-, ethyl ester
- 5-Pyrimidinecarboxylicacid,2-amino-4-cyano-,ethylester(8CI)
- ethyl 2-amino-4-cyanopyrimidine-5-carboxylate
- ethyl2-amino-4-cyanopyrimidine-5-carboxylate
- 15400-52-9
-
- Inchi： 1S/C8H8N4O2/c1-2-14-7(13)5-4-11-8(10)12-6(5)3-9/h4H,2H2,1H3,(H2,10,11,12)
- InChI Key： YOAPMOJQPRPAAQ-UHFFFAOYSA-N
- SMILES： O(C(C1=CN=C(N)N=C1C#N)=O)CC
Computed Properties
- Exact Mass: 192.065
- Monoisotopic Mass: 192.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 259
- 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
- Topological Polar Surface Area: 102A^2
- XLogP3: 0.1
5-Pyrimidinecarboxylicacid, 2-amino-4-cyano-, ethyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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