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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Pyrimidine, 4-chloro-6-(1H-imidazol-1-yl)-

Clc1ncnc(c1)n1cncc1 Request for Quotation
Chemical Name: Pyrimidine, 4-chloro-6-(1H-imidazol-1-yl)-
CAS Number: 114834-02-5
Product Number: AG000FBN(AGN-PC-0KKLWA)
Synonyms:
MDL No:
Molecular Formula: C7H5ClN4
Molecular Weight: 180.5944

Identification/Properties

Computed Properties
Molecular Weight:
180.595g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
180.02g/mol
Monoisotopic Mass:
180.02g/mol
Topological Polar Surface Area:
43.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
154
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Chloro-6-(1H-imidazol-1-yl)pyrimidine is a versatile chemical compound that finds widespread application in organic synthesis. As a key building block in the production of pharmaceuticals, agrochemicals, and specialty chemicals, this compound plays a crucial role in the development of novel compounds with various biological activities. Its unique structure containing both a chloro group and an imidazole moiety confers specific reactivity that allows for the efficient construction of complex molecules. In pharmaceutical research, 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine is often utilized as a core scaffold for the design and synthesis of new drug candidates targeting a range of diseases. Additionally, in agrochemical development, this compound serves as a valuable intermediate for generating crop protection agents and herbicides. Its compatibility with a variety of reactive functional groups makes it a valuable tool for synthetic chemists seeking to access diverse chemical space and unlock new avenues for discovery.