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2-chloro-5-[(1-methylpiperidin-4-yl)methoxy]pyrimidine - 97%, high purity , CAS No.1408074-71-4
Discover 2-chloro-5-[(1-methylpiperidin-4-yl)methoxy]pyrimidine by Aladdin Scientific in 97% for only $1,285.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1408074-71-4 | 2-Chloro-5-(1-methyl-piperidin-4-ylmethoxy)-pyrimidine | 2-chloro-5-[(1-methylpiperidin-4-yl)methoxy]pyrimidine | MFCD23105890 | 2-chloro-5-((1-methylpiperidin-4-yl)methoxy)pyrimidine | Pyrimidine, 2-chloro-5-[(1-methyl-4-piperidinyl)methoxy]- | DTXSID
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Alkyl aryl ethers
Alternative Parents
2-halopyrimidines Piperidines Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl aryl ether - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Piperidine - Pyrimidine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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.
Names and Identifiers
IUPAC Name
2-chloro-5-[(1-methylpiperidin-4-yl)methoxy]pyrimidine
INCHI
InChI=1S/C11H16ClN3O/c1-15-4-2-9(3-5-15)8-16-10-6-13-11(12)14-7-10/h6-7,9H,2-5,8H2,1H3
InChIKey
KOJCOLTUVIRIGR-UHFFFAOYSA-N
Smiles
CN1CCC(CC1)COC2=CN=C(N=C2)Cl
Isomeric SMILES
CN1CCC(CC1)COC2=CN=C(N=C2)Cl
PubChem CID
72208009
Molecular Weight
241.72
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
241.720 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
241.098 Da
Monoisotopic Mass
241.098 Da
Topological Polar Surface Area
38.300 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
201.000
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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