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Summary Geometry Related PDB entries

A1BJY

Summary

Name:	N-[(1R)-2,2-dimethylcyclopentyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:	C15 H22 N4
Formal charge:	0
Formula weight:	258.362 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	N-[(1R)-2,2-dimethylcyclopentyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
OpenEye OEToolkits	3.1.0.0	~{N}-[(1~{R})-2,2-dimethylcyclopentyl]-5,6-dimethyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CC1(C)CCCC1Nc1ncnc2[NH]c(C)c(C)c21
InChI	InChI	1.06	InChI=1S/C15H22N4/c1-9-10(2)18-13-12(9)14(17-8-16-13)19-11-6-5-7-15(11,3)4/h8,11H,5-7H2,1-4H3,(H2,16,17,18,19)/t11-/m1/s1
InChIKey	InChI	1.06	OQGOPFFJFGNBKF-LLVKDONJSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1[nH]c2ncnc(N[C@@H]3CCCC3(C)C)c2c1C
SMILES	CACTVS	3.385	Cc1[nH]c2ncnc(N[CH]3CCCC3(C)C)c2c1C
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cc1c([nH]c2c1c(ncn2)N[C@@H]3CCCC3(C)C)C
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1c([nH]c2c1c(ncn2)NC3CCCC3(C)C)C

248636

PDB entries from 2026-02-04

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