Cas no 76574-50-0 (5-Pyrimidinecarboxaldehyde,4-amino-2-(trifluoromethyl)-)
76574-50-0 structure
Product Name:5-Pyrimidinecarboxaldehyde,4-amino-2-(trifluoromethyl)-
CAS No:76574-50-0
MF:C6H4F3N3O
MW:191.110671043396
CID:561418
PubChem ID:53426354
Update Time:2025-04-19
5-Pyrimidinecarboxaldehyde,4-amino-2-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxaldehyde,4-amino-2-(trifluoromethyl)-
- 4-AMINO-2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBALDEHYDE
- DTXSID00699195
- AB76558
- CCUCOUJCNASVHL-UHFFFAOYSA-N
- 76574-50-0
- SCHEMBL18187558
-
- Inchi： 1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-13)4(10)12-5/h1-2H,(H2,10,11,12)
- InChI Key： CCUCOUJCNASVHL-UHFFFAOYSA-N
- SMILES： FC(C1N=CC(C=O)=C(N)N=1)(F)F
Computed Properties
- Exact Mass: 191.03072
- Monoisotopic Mass: 191.03064625g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 196
- 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: 0.8
- Topological Polar Surface Area: 68.9?2
Experimental Properties
- PSA: 68.87
5-Pyrimidinecarboxaldehyde,4-amino-2-(trifluoromethyl)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
76574-50-0 (5-Pyrimidinecarboxaldehyde,4-amino-2-(trifluoromethyl)-) Related Products
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