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4-fluoropyrimidin-2-amine - 97%, high purity , CAS No.96548-90-2
Basic Description
Synonyms
4-Fluoropyrimidin-2-amine | 96548-90-2 | 4-Fluoro-2-pyrimidinamine | MFCD18205979 | 2-Pyrimidinamine, 4-fluoro- | SCHEMBL668665 | UBNQGQIFYAIMAO-UHFFFAOYSA-N | AKOS006341106 | SB11833 | AS-51251 | SY244822 | CS-0050847 | EN300-102881 | P12222
Specifications & Purity
≥97%
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
Aminopyrimidines and derivatives Aryl fluorides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halopyrimidine - Aminopyrimidine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - 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.
Names and Identifiers
IUPAC Name
4-fluoropyrimidin-2-amine
INCHI
InChI=1S/C4H4FN3/c5-3-1-2-7-4(6)8-3/h1-2H,(H2,6,7,8)
InChIKey
UBNQGQIFYAIMAO-UHFFFAOYSA-N
Smiles
C1=CN=C(N=C1F)N
Isomeric SMILES
C1=CN=C(N=C1F)N
Molecular Weight
113.095
Reaxy-Rn
907127
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=907127&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
113.090 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
113.039 Da
Monoisotopic Mass
113.039 Da
Topological Polar Surface Area
51.800 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
77.700
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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