6J9

4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

Created:	2016-04-14
Last modified:	2024-09-27

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2 entries where 6J9 is found as a standalone ligand5 entries where 6J9 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	10

2D diagram of 6J9

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Chemical Component Summary
Name	4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
Systematic Name (OpenEye OEToolkits)	4-piperazin-1-yl-7~{H}-pyrrolo[2,3-d]pyrimidine
Formula	C₁₀ H₁₃ N₅
Molecular Weight	203.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(c1c(ncc1)ncn2)N3CCNCC3
SMILES	CACTVS	3.385	C1CN(CCN1)c2ncnc3[nH]ccc23
SMILES	OpenEye OEToolkits	2.0.4	c1c[nH]c2c1c(ncn2)N3CCNCC3
Canonical SMILES	CACTVS	3.385	C1CN(CCN1)c2ncnc3[nH]ccc23
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1c[nH]c2c1c(ncn2)N3CCNCC3
InChI	InChI	1.03	InChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14)
InChIKey	InChI	1.03	LZSXQBNNRGZPES-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	18008465
ChEMBL	CHEMBL595554

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