Cas no 832090-51-4 (5-Pyrimidinecarboxylic acid, 4-ethyl-6-methyl-2-phenyl-)
832090-51-4 structure
Product Name:5-Pyrimidinecarboxylic acid, 4-ethyl-6-methyl-2-phenyl-
CAS No:832090-51-4
MF:C14H14N2O2
MW:242.273163318634
CID:676674
PubChem ID:58781571
Update Time:2025-04-19
5-Pyrimidinecarboxylic acid, 4-ethyl-6-methyl-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylic acid, 4-ethyl-6-methyl-2-phenyl-
- 4-ethyl-6-methyl-2-phenylpyrimidine-5-carboxylic acid
- 832090-51-4
- SCHEMBL5509874
- DTXSID30730020
-
- Inchi： 1S/C14H14N2O2/c1-3-11-12(14(17)18)9(2)15-13(16-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,17,18)
- InChI Key： QWASYASUZHZZGM-UHFFFAOYSA-N
- SMILES： OC(C1=C(C)N=C(C2C=CC=CC=2)N=C1CC)=O
Computed Properties
- Exact Mass: 242.105527694g/mol
- Monoisotopic Mass: 242.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 290
- 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: 2.6
- Topological Polar Surface Area: 63.1?2
5-Pyrimidinecarboxylic acid, 4-ethyl-6-methyl-2-phenyl- Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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