6QY

~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine

Created:	2016-05-26
Last modified:	2017-12-06

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1 entries where 6QY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	0
Bond Count	57
Aromatic Bond Count	10

2D diagram of 6QY

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Chemical Component Summary
Name	~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
Systematic Name (OpenEye OEToolkits)	~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
Formula	C₁₉ H₂₉ N₅ O
Molecular Weight	343.466
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(C)[CH]1CC[CH](CC1)Nc2ncnc3[nH]cc(C4CCOCC4)c23
SMILES	OpenEye OEToolkits	2.0.5	CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4
Canonical SMILES	CACTVS	3.385	CN(C)[C@H]1CC[C@@H](CC1)Nc2ncnc3[nH]cc(C4CCOCC4)c23
Canonical SMILES	OpenEye OEToolkits	2.0.5	CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4
InChI	InChI	1.03	InChI=1S/C19H29N5O/c1-24(2)15-5-3-14(4-6-15)23-19-17-16(13-7-9-25-10-8-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23)/t14-,15-
InChIKey	InChI	1.03	JPINYIWLTLYJCV-SHTZXODSSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.