A1A19

7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Created:	2024-08-15
Last modified:	2025-06-11

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1 entries where A1A19 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	16

2D diagram of A1A19

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Chemical Component Summary
Name	7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)	5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
Formula	C₁₅ H₁₆ N₄
Molecular Weight	252.314
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Nc1ncnc2c1c(C)c(C)n2Cc1ccccc1
SMILES	CACTVS	3.385	Cc1n(Cc2ccccc2)c3ncnc(N)c3c1C
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1c(n(c2c1c(ncn2)N)Cc3ccccc3)C
Canonical SMILES	CACTVS	3.385	Cc1n(Cc2ccccc2)c3ncnc(N)c3c1C
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	Cc1c(n(c2c1c(ncn2)N)Cc3ccccc3)C
InChI	InChI	1.06	InChI=1S/C15H16N4/c1-10-11(2)19(8-12-6-4-3-5-7-12)15-13(10)14(16)17-9-18-15/h3-7,9H,8H2,1-2H3,(H2,16,17,18)
InChIKey	InChI	1.06	WVJFFHQKDQYWCI-UHFFFAOYSA-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.