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5-VINYLURACIL

CAS No.:
37107-81-6
Catalog Number:
AG003MYV
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
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Product Description
Catalog Number:
AG003MYV
Chemical Name:
5-VINYLURACIL
CAS Number:
37107-81-6
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD00913267
IUPAC Name:
5-ethenyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C6H6N2O2/c1-2-4-3-7-6(10)8-5(4)9/h2-3H,1H2,(H2,7,8,9,10)
InChI Key:
ZRYZBEQILKESAW-UHFFFAOYSA-N
SMILES:
C=Cc1c[nH]c(=O)[nH]c1=O
UNII:
FZA8N5LEF2
NSC Number:
208961
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
Comparative pharmacology of oral fluoropyrimidines: a focus on pharmacokinetics, pharmacodynamics and pharmacomodulation. British journal of cancer 20040816
Single ascending dose tolerability, pharmacokinetic-pharmacodynamic study of dihydropyrimidine dehydrogenase inhibitor Ro 09-4889. Clinical cancer research : an official journal of the American Association for Cancer Research 20040401
Augmentation of the antitumor activity of capecitabine by a tumor selective dihydropyrimidine dehydrogenase inhibitor, RO0094889. International journal of cancer 20030920
Design and synthesis of the tumor-activated prodrug of dihydropyrimidine dehydrogenase (DPD) inhibitor, RO0094889 for combination therapy with capecitabine. Bioorganic & medicinal chemistry letters 20030310
Evaluation of 5-[1-(2-halo(or nitro)ethoxy-2-iodoethyl)]-2'-deoxyuridines as inhibitors of herpes simplex virus. Journal of enzyme inhibition and medicinal chemistry 20030201
Photochemical ligation of DNA 'words' for DNA computing. Nucleic acids research. Supplement (2001) 20030101
Properties