Home Other Building Blocks 5-(Trifluoromethyl)pyrimidine-2,4-diol

5-(Trifluoromethyl)pyrimidine-2,4-diol

CAS No.:
1171916-79-2
Catalog Number:
AG00HDUO
Molecular Formula:
C5H3F3N2O2
Molecular Weight:
180.0847
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Product Description
Catalog Number:
AG00HDUO
Chemical Name:
5-(Trifluoromethyl)pyrimidine-2,4-diol
CAS Number:
1171916-79-2
Molecular Formula:
C5H3F3N2O2
Molecular Weight:
180.0847
MDL Number:
MFCD06248897
IUPAC Name:
5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)
InChI Key:
LMNPKIOZMGYQIU-UHFFFAOYSA-N
SMILES:
FC(C1C=NC(=O)NC1=O)(F)F
EC Number:
200-197-5
UNII:
4U846R5P34
NSC Number:
73757
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.086g/mol
Monoisotopic Mass:
180.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Human mass balance study of TAS-102 using (14)C analyzed by accelerator mass spectrometry. Cancer chemotherapy and pharmacology 20160301
Synthesis and biological evaluation of unsaturated keto and exomethylene D-arabinopyranonucleoside analogs: novel 5-fluorouracil analogs that target thymidylate synthase. European journal of medicinal chemistry 20110401
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
The unsaturated acyclic nucleoside analogues bearing a sterically constrained (Z)-4'-benzamido-2'-butenyl moiety: Synthesis, X-ray crystal structure study, cytostatic and antiviral activity evaluations. Bioorganic & medicinal chemistry 20100901
Simple and rapid enzymatic method for the synthesis of single-strand oligonucleotides containing trifluorothymidine. Nucleosides, nucleotides & nucleic acids 20100101
The novel pyrimidine and purine derivatives of l-ascorbic acid: synthesis, one- and two-dimensional 1H and 13C NMR study, cytostatic and antiviral evaluation. Bioorganic & medicinal chemistry 20050103
Synthesis and herbicidal activity of novel heterocyclic protoporphyrinogen oxidase inhibitors. Pest management science 20041201
Influence of radiation sterilization on the stability of trifluorothymidine. International journal of pharmaceutics 20010717
Synthesis and in vitro activity of D- and L-enantiomers of 5-(trifluoromethyl)uracil nucleoside derivatives. Nucleosides, nucleotides & nucleic acids 20010101
Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii. Biochemical pharmacology 19940817
Properties