A1A7Z

(2S)-2-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol

Created:	2024-09-18
Last modified:	2025-06-11

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1 entries where A1A7Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	1
Bond Count	35
Aromatic Bond Count	16

2D diagram of A1A7Z

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Chemical Component Summary
Name	(2S)-2-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-phenyl-2-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)ethanol
Formula	C₁₄ H₁₄ N₄ O
Molecular Weight	254.287
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	OCC(Nc1ncnc2[NH]ccc21)c1ccccc1
SMILES	CACTVS	3.385	OC[CH](Nc1ncnc2[nH]ccc12)c3ccccc3
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)C(CO)Nc2c3cc[nH]c3ncn2
Canonical SMILES	CACTVS	3.385	OC[C@@H](Nc1ncnc2[nH]ccc12)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)[C@@H](CO)Nc2c3cc[nH]c3ncn2
InChI	InChI	1.06	InChI=1S/C14H14N4O/c19-8-12(10-4-2-1-3-5-10)18-14-11-6-7-15-13(11)16-9-17-14/h1-7,9,12,19H,8H2,(H2,15,16,17,18)/t12-/m1/s1
InChIKey	InChI	1.06	IPVGUCNFSVUJNP-GFCCVEGCSA-N

Related Resource References

Resource Name	Reference
PubChem	175667911

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.