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Murcko scaffold

Ring system with 3 rings and 17 atoms

36 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
36
With full pages
4
Scaffold SMILES

c1nc(N2CCCCC2)ncc1B1OCCO1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold c1nc(N2CCCCC2)ncc1B1OCCO1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 36 of 36 chemicals

2-(Piperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine chemical structure, C15H24BN3O2, CAS 1015242-08-6
2-(Piperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CAS 1015242-08-6C15H24BN3O2
Methyl 1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidine-4-carboxylate chemical structure, C17H26BN3O4, CAS 1160790-50-0
Methyl 1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidine-4-carboxylate
CAS 1160790-50-0C17H26BN3O4
Ethyl 4-methyl-1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidine-4-carboxylate chemical structure, C19H30BN3O4, CAS 1372548-05-4
Ethyl 4-methyl-1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidine-4-carboxylate
CAS 1372548-05-4C19H30BN3O4
(1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanol chemical structure, C16H26BN3O3, CAS 1202805-30-8
(1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanol
CAS 1202805-30-8C16H26BN3O3
1-(5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidin-4-ol chemical structure, C15H24BN3O3, CAS 1202805-26-2
1-(5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidin-4-ol
CAS 1202805-26-2C15H24BN3O3
{1-[5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-yl}methanol chemical structure, C16H26BN3O3, CAS 1202805-21-7
{1-[5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-yl}methanol
CAS 1202805-21-7C16H26BN3O3
Methyl 1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidine-3-carboxylate chemical structure, C17H26BN3O4, CAS 1160790-51-1
Methyl 1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidine-3-carboxylate
CAS 1160790-51-1C17H26BN3O4
tert-Butyl N-{1-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl}carbamate chemical structure, C20H33BN4O4, CAS 1202805-37-5
tert-Butyl N-{1-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl}carbamate
CAS 1202805-37-5C20H33BN4O4
tert-Butyl ((1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidin-4-yl)methyl)carbamate chemical structure, C21H35BN4O4, CAS 1350562-08-1
tert-Butyl ((1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidin-4-yl)methyl)carbamate
CAS 1350562-08-1C21H35BN4O4
2-(4,4-Difluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine chemical structure, C15H22BF2N3O2, CAS 2300135-99-1
2-(4,4-Difluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CAS 2300135-99-1C15H22BF2N3O2
1-[5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol chemical structure, C15H24BN3O3, CAS 1355388-42-9
1-[5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol
CAS 1355388-42-9C15H24BN3O3
tert-Butyl methyl(1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidin-4-yl)carbamate chemical structure, C21H35BN4O4, CAS 1632498-72-6
tert-Butyl methyl(1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidin-4-yl)carbamate
CAS 1632498-72-6C21H35BN4O4
2-(4-Fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine chemical structure, C15H23BFN3O2, CAS 2892445-05-3
2-(4-Fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CAS 2892445-05-3C15H23BFN3O2
4,6-Dimethyl-2-(piperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine chemical structure, C17H28BN3O2, CAS 2304634-34-0
4,6-Dimethyl-2-(piperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CAS 2304634-34-0C17H28BN3O2
1-[5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-amine chemical structure, C15H25BN4O2, CAS 1416062-82-2
1-[5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-amine
CAS 1416062-82-2C15H25BN4O2
2-(2-Methylpiperidino)pyrimidine-5-boronic acid pinacol ester chemical structure, C16H26BN3O2, CAS 1352297-55-2
2-(2-Methylpiperidino)pyrimidine-5-boronic acid pinacol ester
CAS 1352297-55-2C16H26BN3O2
2-(3-Methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine chemical structure, C16H26BN3O2, CAS 1402174-20-2
2-(3-Methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CAS 1402174-20-2C16H26BN3O2
2-(4-Methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine chemical structure, C16H26BN3O2, CAS 1402174-21-3
2-(4-Methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CAS 1402174-21-3C16H26BN3O2
4-Chloro-2-(piperidino)pyrimidine-5-boronic acid pinacol ester chemical structure, C15H23BClN3O2, CAS 2223053-68-5
4-Chloro-2-(piperidino)pyrimidine-5-boronic acid pinacol ester
CAS 2223053-68-5C15H23BClN3O2
4-Chloro-2-(2-methylpiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester chemical structure, C16H25BClN3O2, CAS 2223006-04-8
4-Chloro-2-(2-methylpiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester
CAS 2223006-04-8C16H25BClN3O2
4-Chloro-2-(3-methylpiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester chemical structure, C16H25BClN3O2, CAS 2223006-83-3
4-Chloro-2-(3-methylpiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester
CAS 2223006-83-3C16H25BClN3O2
4-Chloro-2-(4-methylpiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester chemical structure, C16H25BClN3O2, CAS 2223039-27-6
4-Chloro-2-(4-methylpiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester
CAS 2223039-27-6C16H25BClN3O2
1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidine-3-carbonitrile chemical structure, C16H23BN4O2, CAS 2095097-73-5
1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidine-3-carbonitrile
CAS 2095097-73-5C16H23BN4O2
1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidine-4-carbonitrile chemical structure, C16H23BN4O2, CAS 1356464-58-8
1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidine-4-carbonitrile
CAS 1356464-58-8C16H23BN4O2