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5-Fluoro-4-hydroxypyrimidine - 98%, high purity , CAS No.671-35-2
Basic Description
Synonyms
5-Fluoro-4-hydroxypyrimidine | 671-35-2 | 5-fluoropyrimidin-4-ol | Fluoxydine | Fluoxidine | 5-fluoro-1H-pyrimidin-6-one | 4-Hydroxy-5-fluorpyrimidine | 4(1H)-Pyrimidinone, 5-fluoro- | 5-fluoropyrimidin-4(3H)-one | XB4K113EL0 | MFCD00223674 | NSC-529068 | 5-Fluoro-4(1H)-pyrimidi
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Halopyrimidines
Alternative Parents
Pyrimidones Hydropyrimidines Aryl fluorides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halopyrimidine - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. 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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
5-fluoro-1H-pyrimidin-6-one
INCHI
InChI=1S/C4H3FN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
InChIKey
NBAHQCCWEKHGTD-UHFFFAOYSA-N
Smiles
C1=C(C(=O)NC=N1)F
Isomeric SMILES
C1=C(C(=O)NC=N1)F
Molecular Weight
114.1
Reaxy-Rn
8829177
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8829177&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
114.080 g/mol
XLogP3
-0.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
114.023 Da
Monoisotopic Mass
114.023 Da
Topological Polar Surface Area
41.500 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
173.000
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
1
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