PJS

N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide

Created:	2019-08-12
Last modified:	2020-10-07

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1 entries where PJS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of PJS

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Chemical Component Summary
Name	N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-~{N},2-dimethyl-pyrimidine-4-carboxamide
Formula	C₁₄ H₁₃ Cl F N₃ O
Molecular Weight	293.724
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1nc(ccn1)C(N(Cc2c(F)cccc2Cl)C)=O
SMILES	CACTVS	3.385	CN(Cc1c(F)cccc1Cl)C(=O)c2ccnc(C)n2
SMILES	OpenEye OEToolkits	2.0.6	Cc1nccc(n1)C(=O)N(C)Cc2c(cccc2Cl)F
Canonical SMILES	CACTVS	3.385	CN(Cc1c(F)cccc1Cl)C(=O)c2ccnc(C)n2
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1nccc(n1)C(=O)N(C)Cc2c(cccc2Cl)F
InChI	InChI	1.03	InChI=1S/C14H13ClFN3O/c1-9-17-7-6-13(18-9)14(20)19(2)8-10-11(15)4-3-5-12(10)16/h3-7H,8H2,1-2H3
InChIKey	InChI	1.03	MOTYBLMYPYOWBD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	47256035

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