Cas no 87362-31-0 (2-Pyrimidinecarboxamide,5-methoxy-)
87362-31-0 structure
Product Name:2-Pyrimidinecarboxamide,5-methoxy-
CAS No:87362-31-0
MF:C6H7N3O2
MW:153.138680696487
CID:708786
PubChem ID:4409827
Update Time:2025-04-19
2-Pyrimidinecarboxamide,5-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinecarboxamide,5-methoxy-
- 2-Pyrimidinecarboxamide,5-methoxy-(9CI)
- SCHEMBL14820284
- 87362-31-0
- 5-methoxypyrimidine-2-carboxamide
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- Inchi： 1S/C6H7N3O2/c1-11-4-2-8-6(5(7)10)9-3-4/h2-3H,1H3,(H2,7,10)
- InChI Key： SESHLZVBBWETNW-UHFFFAOYSA-N
- SMILES： O(C)C1C=NC(C(N)=O)=NC=1
Computed Properties
- Exact Mass: 153.054
- Monoisotopic Mass: 153.054
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 143
- 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: 78.1A^2
- XLogP3: -0.6
2-Pyrimidinecarboxamide,5-methoxy- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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