658

N-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-amine

Created:	2016-01-26
Last modified:	2018-03-07

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1 entries where 658 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	17

2D diagram of 658

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Chemical Component Summary
Name	N-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)	~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
Formula	C₁₅ H₁₄ Cl N₅
Molecular Weight	299.758
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2ccc(Nc1ccc(Cl)cc1)nc2n3c(cc(n3)C)C
SMILES	CACTVS	3.385	Cc1cc(C)n(n1)c2nccc(Nc3ccc(Cl)cc3)n2
SMILES	OpenEye OEToolkits	2.0.4	Cc1cc(n(n1)c2nccc(n2)Nc3ccc(cc3)Cl)C
Canonical SMILES	CACTVS	3.385	Cc1cc(C)n(n1)c2nccc(Nc3ccc(Cl)cc3)n2
Canonical SMILES	OpenEye OEToolkits	2.0.4	Cc1cc(n(n1)c2nccc(n2)Nc3ccc(cc3)Cl)C
InChI	InChI	1.03	InChI=1S/C15H14ClN5/c1-10-9-11(2)21(20-10)15-17-8-7-14(19-15)18-13-5-3-12(16)4-6-13/h3-9H,1-2H3,(H,17,18,19)
InChIKey	InChI	1.03	MYCRDMLFNQGDBT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11857184

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