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Potassium 1,3-dimethyluracil-5-trifluoroborate , CAS No.1150654-77-5
Discover Potassium 1,3-dimethyluracil-5-trifluoroborate by Aladdin Scientific in for only $122.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1150654-77-5 | 1,3-DIMETHYLURACIL-5-TRIFLUOROBORATE POTASSIUM SALT | potassium;(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-trifluoroboranuide | POTASSIUM (1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)TRIFLUOROBORATE | DTXSID30674899 | MFCD09271782 | AKOS0159100
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidones
Alternative Parents
Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Boronic acid derivatives Lactams Azacyclic compounds Organic metal halides Organic metalloid salts Organic potassium salts Organometalloid compounds Hydrocarbon derivatives Organooxygen compounds Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidone - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Boronic acid derivative - Lactam - Urea - Organic metal halide - Azacycle - Organic alkali metal salt - Organic metalloid salt - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic potassium salt - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
potassium;(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-trifluoroboranuide
INCHI
InChI=1S/C6H7BF3N2O2.K/c1-11-3-4(7(8,9)10)5(13)12(2)6(11)14;/h3H,1-2H3;/q-1;+1
InChIKey
ZHOBXMTYGILESR-UHFFFAOYSA-N
Smiles
[B-](C1=CN(C(=O)N(C1=O)C)C)(F)(F)F.[K+]
Isomeric SMILES
[B-](C1=CN(C(=O)N(C1=O)C)C)(F)(F)F.[K+]
PubChem CID
46739280
Molecular Weight
246.04
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
246.040 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
0
Exact Mass
246.019 Da
Monoisotopic Mass
246.019 Da
Topological Polar Surface Area
40.600 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
331.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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