CJR

N4-methyl-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 CJR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	6

2D diagram of CJR

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Chemical Component Summary
Name	N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	~{N}4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
Formula	C₁₂ H₂₀ N₆ O
Molecular Weight	264.327
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNc1cc(nc(N)n1)N2CCN(CC2)C3COC3
SMILES	OpenEye OEToolkits	2.0.6	CNc1cc(nc(n1)N)N2CCN(CC2)C3COC3
Canonical SMILES	CACTVS	3.385	CNc1cc(nc(N)n1)N2CCN(CC2)C3COC3
Canonical SMILES	OpenEye OEToolkits	2.0.6	CNc1cc(nc(n1)N)N2CCN(CC2)C3COC3
InChI	InChI	1.03	InChI=1S/C12H20N6O/c1-14-10-6-11(16-12(13)15-10)18-4-2-17(3-5-18)9-7-19-8-9/h6,9H,2-5,7-8H2,1H3,(H3,13,14,15,16)
InChIKey	InChI	1.03	LBGCEAAVIBBBPG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	154815500

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