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873-83-6 | 6-Aminopyrimidine-2,4(1H,3H);-dione
CAS No: 873-83-6 Catalog No: AG003KOF MDL No:MFCD00006071
Product Description
Catalog Number:
AG003KOF
Chemical Name:
6-Aminopyrimidine-2,4(1H,3H);-dione
CAS Number:
873-83-6
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
MDL Number:
MFCD00006071
IUPAC Name:
6-amino-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)
InChI Key:
LNDZXOWGUAIUBG-UHFFFAOYSA-N
SMILES:
Nc1cc(=O)[nH]c(=O)[nH]1
EC Number:
212-854-3
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
Literature
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| Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. | Bioorganic & medicinal chemistry letters 20090515 |
| Simultaneous determination of uric acid metabolites allantoin, 6-aminouracil, and triuret in human urine using liquid chromatography-mass spectrometry. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20090101 |
| Inactivation of nitric oxide by uric acid. | Nucleosides, nucleotides & nucleic acids 20080801 |
| Effect of amino substitution on the excited state dynamics of uracil. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20080701 |
| 8,8-Dimethyl-5-(4-methyl-phen-yl)-8,9-dihydro-pyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione N,N-dimethyl-formamide solvate. | Acta crystallographica. Section E, Structure reports online 20080301 |
| Thymidine phosphorylase inhibitors: recent developments and potential therapeutic applications. | Mini reviews in medicinal chemistry 20051201 |
| A study of H-bonding of 3- and 5-substituted 6-aminouracils in duplex and triplex structures. | Nucleosides, nucleotides & nucleic acids 20050101 |
| Pyrido[2,1-f]purine-2,4-dione derivatives as a novel class of highly potent human A(3) adenosine receptor antagonists. | Journal of medicinal chemistry 20020801 |
| Disruption of HIV-1 integrase-DNA complexes by short 6-oxocytosine-containing oligonucleotides. | Biochemistry 20020205 |
| Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii. | Biochemical pharmacology 19940817 |
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