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1004-40-6

1004-40-6 | 6-Amino-2,3-dihydro-2-thioxo-4(1H)-pyrimidinone

CAS No: 1004-40-6 Catalog No: AG00389P MDL No:MFCD00006077

Product Description

Catalog Number:
AG00389P
Chemical Name:
6-Amino-2,3-dihydro-2-thioxo-4(1H)-pyrimidinone
CAS Number:
1004-40-6
Molecular Formula:
C4H5N3OS
Molecular Weight:
143.1670
MDL Number:
MFCD00006077
IUPAC Name:
6-amino-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C4H5N3OS/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)
InChI Key:
YFYYRKDBDBILSD-UHFFFAOYSA-N
SMILES:
Nc1cc(=O)[nH]c(=S)[nH]1

Properties

Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.015g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
143.164g/mol
Monoisotopic Mass:
143.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  

Literature

Title Journal
Synthesis, characterization and modification of functionalized pyrimidine stabilized gold nanoparticles on ITO electrode for the determination of tannic acid. Bioelectrochemistry (Amsterdam, Netherlands) 20130201
Synthesis and antioxidant evaluation of some new 3-substituted coumarins. Archiv der Pharmazie 20111101
Nucleosides 7(9): synthesis, structure, and biological activity of new 6-arylidenamino-2-thio- and 2-benzylthiopyrimidine N-nucleosides. Nucleosides, nucleotides & nucleic acids 20110901
Solvatochromaticity and pH dependence of the electronic absorption spectra of some purines and pyrimidines and their metal complexes. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110801
Synthesis of new visnagen and khellin furochromone pyrimidine derivatives and their anti-inflammatory and analgesic activity. Molecules (Basel, Switzerland) 20110225
Design, Synthesis and Biological Evaluation of Novel Pyrimido[4,5-d]pyrimidine CDK2 Inhibitors as Anti-Tumor Agents. Scientia pharmaceutica 20110101
Synthesis of some new pyrimido[2',1':2,3]thiazolo[4,5-b]quinoxaline derivatives as anti-inflammatory and analgesic agents. European journal of medicinal chemistry 20100501
Synthesis of certain pyrimidine derivatives as antimicrobial agents and anti-inflammatory agents. Molecules (Basel, Switzerland) 20100315
6-Amino-2-mercapto-3H-pyrimidin-4-one derivatives as new candidates for the antagonism at the P2Y12 receptors. Bioorganic & medicinal chemistry 20090701
Synthesis of 4-substituted pyrido[2,3-d]pyrimidin-4(1H)-one as analgesic and anti-inflammatory agents. Bioorganic & medicinal chemistry letters 20090701
Derivatives of 4-amino-6-hydroxy-2-mercaptopyrimidine as novel, potent, and selective A3 adenosine receptor antagonists. Journal of medicinal chemistry 20080327
Utility of 6-amino-2-thiouracil as a precursor for the synthesis of bioactive pyrimidine derivatives. Bioorganic & medicinal chemistry 20070915
Structure-based design of 2-arylamino-4-cyclohexylmethoxy-5-nitroso-6-aminopyrimidine inhibitors of cyclin-dependent kinase 2. Organic & biomolecular chemistry 20070521
Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii. Biochemical pharmacology 19940817

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