Cas no 15400-50-7 (5-Pyrimidinecarboxylicacid, 4-amino-2-cyano-, ethyl ester)
15400-50-7 structure
Product Name:5-Pyrimidinecarboxylicacid, 4-amino-2-cyano-, ethyl ester
CAS No:15400-50-7
MF:C8H8N4O2
MW:192.17472076416
CID:120955
PubChem ID:45089278
Update Time:2025-04-18
5-Pyrimidinecarboxylicacid, 4-amino-2-cyano-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylicacid, 4-amino-2-cyano-, ethyl ester
- 5-Pyrimidinecarboxylicacid,4-amino-2-cyano-,ethylester(8CI)
- ethyl 4-amino-2-cyanopyrimidine-5-carboxylate
- ethyl4-amino-2-cyanopyrimidine-5-carboxylate
- 15400-50-7
-
- Inchi： 1S/C8H8N4O2/c1-2-14-8(13)5-4-11-6(3-9)12-7(5)10/h4H,2H2,1H3,(H2,10,11,12)
- InChI Key： WFJMAJHJVZRNER-UHFFFAOYSA-N
- SMILES： O(C(C1=CN=C(C#N)N=C1N)=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: 0.7
5-Pyrimidinecarboxylicacid, 4-amino-2-cyano-, ethyl ester Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
15400-50-7 (5-Pyrimidinecarboxylicacid, 4-amino-2-cyano-, ethyl ester) Related Products
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