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2,5-Dichloro-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine - 97%, high purity , CAS No.543712-81-8

COA

Grade & Purity:

≥97%

Cas Number: 543712-81-8
Molecular Weight: 244.08
PubChem CID: 11402272
PubChem SID: 488197467

In stock

Item Number

D176742

Grouped product items
SKU	Size	Availability	Price
D176742-50mg	50mg	2	$9.90
D176742-250mg	250mg	4	$26.90
D176742-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$54.90

Basic Description

Synonyms	2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine \| 543712-81-8 \| 2,5-Dichloro-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine \| C8H7Cl2N5 \| SCHEMBL218642 \| DTXSID40464783 \| QXEYORGOYODCOD-UHFFFAOYSA-N \| CS-D0823 \| MFCD12406889 \| AKOS015917712 \| SB17698 \| AS-11069 \| A9241
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Aminopyrimidines and derivatives
Alternative Parents	2-halopyrimidines Imidolactams Aryl chlorides Pyrazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Secondary amine - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488197467
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488197467
IUPAC Name	2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
INCHI	InChI=1S/C8H7Cl2N5/c1-4-2-6(15-14-4)12-7-5(9)3-11-8(10)13-7/h2-3H,1H3,(H2,11,12,13,14,15)
InChIKey	QXEYORGOYODCOD-UHFFFAOYSA-N
Smiles	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)Cl
Isomeric SMILES	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)Cl
Molecular Weight	244.08
Reaxy-Rn	11426995
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11426995&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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2 results found

Lot Number	Certificate Type	Date	Item
H1822118	Certificate of Analysis	Mar 06, 2024	D176742
G2304366	Certificate of Analysis	Jul 10, 2023	D176742

Chemical and Physical Properties

Molecular Weight	244.080 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	243.008 Da
Monoisotopic Mass	243.008 Da
Topological Polar Surface Area	66.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	217.000
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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