CJL

N4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine

Created:	2019-04-24
Last modified:	2020-10-28

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1 entries where CJL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	6

2D diagram of CJL

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Chemical Component Summary
Name	N4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	~{N}4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
Formula	C₁₄ H₂₂ N₆ O
Molecular Weight	290.364
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1nc(NC2CC2)cc(n1)N3CCN(CC3)C4COC4
SMILES	OpenEye OEToolkits	2.0.6	c1c(nc(nc1N2CCN(CC2)C3COC3)N)NC4CC4
Canonical SMILES	CACTVS	3.385	Nc1nc(NC2CC2)cc(n1)N3CCN(CC3)C4COC4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1c(nc(nc1N2CCN(CC2)C3COC3)N)NC4CC4
InChI	InChI	1.03	InChI=1S/C14H22N6O/c15-14-17-12(16-10-1-2-10)7-13(18-14)20-5-3-19(4-6-20)11-8-21-9-11/h7,10-11H,1-6,8-9H2,(H3,15,16,17,18)
InChIKey	InChI	1.03	ZGLBWQVKOMHGIB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	154815499

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