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4-Chloro-6-morpholinopyrimidin-2-amine - ≥95%, high purity , CAS No.339016-18-1
Basic Description
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Tertiary amines - Tertiary alkylarylamines
Direct Parent
Dialkylarylamines
Alternative Parents
Halopyrimidines Aminopyrimidines and derivatives Morpholines Imidolactams Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dialkylarylamine - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Pyrimidine - Imidolactam - Heteroaromatic compound - Dialkyl ether - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Primary amine - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
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)
Associated Targets(non-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
4-chloro-6-morpholin-4-ylpyrimidin-2-amine
INCHI
InChI=1S/C8H11ClN4O/c9-6-5-7(12-8(10)11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKey
CWKCJXZYXLANTB-UHFFFAOYSA-N
Smiles
C1COCCN1C2=CC(=NC(=N2)N)Cl
Isomeric SMILES
C1COCCN1C2=CC(=NC(=N2)N)Cl
PubChem CID
1484288
Molecular Weight
214.65
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
214.650 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
214.062 Da
Monoisotopic Mass
214.062 Da
Topological Polar Surface Area
64.300 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
188.000
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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