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Methyl 2-amino-4-(2-chlorophenyl)pyrimidine-5-carboxylate - 95%, high purity , CAS No.1133115-68-0

COA

Grade & Purity:

≥95%

Cas Number: 1133115-68-0
Molecular Weight: 263.7
PubChem CID: 46739214

In stock

Item Number

M179509

Grouped product items
SKU	Size	Availability	Price	Qty
M179509-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$802.90

Discover Methyl 2-amino-4-(2-chlorophenyl)pyrimidine-5-carboxylate by Aladdin Scientific in 95% for only $802.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	METHYL 2-AMINO-4-(2-CHLOROPHENYL)PYRIMIDINE-5-CARBOXYLATE \| 1133115-68-0 \| DTXSID70674838 \| MFCD11855882 \| AKOS015854830 \| SB59021 \| BS-23598 \| A894425 \| METHYL2-AMINO-4-(2-CHLOROPHENYL)PYRIMIDINE-5-CARBOXYLATE
Specifications & Purity	≥95%
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	Phenylpyrimidines
Alternative Parents	Pyrimidinecarboxylic acids Chlorobenzenes Aminopyrimidines and derivatives Aryl chlorides Methyl esters Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	4-phenylpyrimidine - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidine-5-carboxylic acid - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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

IUPAC Name	methyl 2-amino-4-(2-chlorophenyl)pyrimidine-5-carboxylate
INCHI	InChI=1S/C12H10ClN3O2/c1-18-11(17)8-6-15-12(14)16-10(8)7-4-2-3-5-9(7)13/h2-6H,1H3,(H2,14,15,16)
InChIKey	XQDWVQDZQSJIBP-UHFFFAOYSA-N
Smiles	COC(=O)C1=CN=C(N=C1C2=CC=CC=C2Cl)N
Isomeric SMILES	COC(=O)C1=CN=C(N=C1C2=CC=CC=C2Cl)N
Molecular Weight	263.7
Reaxy-Rn	54848744
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=54848744&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	263.680 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	263.046 Da
Monoisotopic Mass	263.046 Da
Topological Polar Surface Area	78.100 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	303.000
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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