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4-Chloro-6-propylaminopyrimidine - 97%, high purity , CAS No.941294-33-3
Discover 4-Chloro-6-propylaminopyrimidine by Aladdin Scientific in 97% for only $155.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
941294-33-3 | 6-chloro-N-propylpyrimidin-4-amine | 4-Chloro-6-propylaminopyrimidine | 6-Chloro-N-propyl-4-pyrimidinamine | 4-Chloro-6-(propylamino)pyrimidine | DTXSID30617685 | MFCD09475893 | AKOS010530372 | PS-3466 | SB56368 | CS-0205661 | FT-0681499 | EN300-332958 | 6-chloro-N-p
Specifications & Purity
≥97%
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 Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halopyrimidine - Aminopyrimidine - Imidolactam - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - 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
6-chloro-N-propylpyrimidin-4-amine
INCHI
InChI=1S/C7H10ClN3/c1-2-3-9-7-4-6(8)10-5-11-7/h4-5H,2-3H2,1H3,(H,9,10,11)
InChIKey
XWORSYQRPFDXTA-UHFFFAOYSA-N
Smiles
CCCNC1=CC(=NC=N1)Cl
Isomeric SMILES
CCCNC1=CC(=NC=N1)Cl
Molecular Weight
171.6
Reaxy-Rn
28375425
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28375425&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
171.630 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
171.056 Da
Monoisotopic Mass
171.056 Da
Topological Polar Surface Area
37.800 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
110.000
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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