UHX

6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Created:	2014-01-16
Last modified:	2015-01-21

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1 entries where UHX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	22

2D diagram of UHX

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Chemical Component Summary
Name	6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Systematic Name (OpenEye OEToolkits)	6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Formula	C₁₉ H₁₆ F N₅ O
Molecular Weight	349.362
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc4ccc(c2c(c1c(nc(nc1n2)N)N)c3ccc(OC)cc3)cc4
SMILES	CACTVS	3.385	COc1ccc(cc1)c2c([nH]c3nc(N)nc(N)c23)c4ccc(F)cc4
SMILES	OpenEye OEToolkits	1.7.6	COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)F)N)N
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1)c2c([nH]c3nc(N)nc(N)c23)c4ccc(F)cc4
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)F)N)N
InChI	InChI	1.03	InChI=1S/C19H16FN5O/c1-26-13-8-4-10(5-9-13)14-15-17(21)24-19(22)25-18(15)23-16(14)11-2-6-12(20)7-3-11/h2-9H,1H3,(H5,21,22,23,24,25)
InChIKey	InChI	1.03	MTCWKPIXTKCOED-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	86580361
ChEMBL	CHEMBL3318911

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.