CEU

N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

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

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1 entries where CEU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	6

2D diagram of CEU

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Chemical Component Summary
Name	N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	~{N}4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
Formula	C₁₀ H₁₈ N₆
Molecular Weight	222.29
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNc1cc(nc(N)n1)N2CCN(C)CC2
SMILES	OpenEye OEToolkits	2.0.6	CNc1cc(nc(n1)N)N2CCN(CC2)C
Canonical SMILES	CACTVS	3.385	CNc1cc(nc(N)n1)N2CCN(C)CC2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CNc1cc(nc(n1)N)N2CCN(CC2)C
InChI	InChI	1.03	InChI=1S/C10H18N6/c1-12-8-7-9(14-10(11)13-8)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKey	InChI	1.03	ZZGIYIUKTWQYCW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	25129179
ChEMBL	CHEMBL495112

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.