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Murcko scaffold

1-Pyrimidin-2-yl-1,4-diazepane scaffold

57 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
13
Chemicals
57
With full pages
5
Scaffold SMILES

c1cnc(N2CCCNCC2)nc1

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 scaffoldOpen the 1-Pyrimidin-2-yl-1,4-diazepane page
Murcko scaffold c1cnc(N2CCCNCC2)nc1

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 49 to 57 of 57 chemicals

1-(4,6-Dimethoxypyrimidin-2-yl)-4-methanesulfonyl-1,4-diazepane chemical structure, C12H20N4O4S, CAS 2877636-98-9
1-(4,6-Dimethoxypyrimidin-2-yl)-4-methanesulfonyl-1,4-diazepane
CAS 2877636-98-9C12H20N4O4S
tert-Butyl 4-[4-(trifluoromethanesulfonyloxy)pyrimidin-2-yl]-1,4-diazepane-1-carboxylate chemical structure, C15H21F3N4O5S, CAS 2742654-10-8
tert-Butyl 4-[4-(trifluoromethanesulfonyloxy)pyrimidin-2-yl]-1,4-diazepane-1-carboxylate
CAS 2742654-10-8C15H21F3N4O5S
1-(5-Fluoropyrimidin-2-yl)-1,4-diazepane dihydrochloride chemical structure, C9H15Cl2FN4, CAS 2870659-40-6
1-(5-Fluoropyrimidin-2-yl)-1,4-diazepane dihydrochloride
CAS 2870659-40-6C9H15Cl2FN4
1-(5-Fluoropyrimidin-2-yl)-1,4-diazepane trihydrochloride chemical structure, C9H16Cl3FN4, CAS 2866317-54-4
1-(5-Fluoropyrimidin-2-yl)-1,4-diazepane trihydrochloride
CAS 2866317-54-4C9H16Cl3FN4
2-(1,4-Diazepan-1-yl)pyrimidin-4-yl trifluoromethanesulfonate chemical structure, C10H13F3N4O3S, CAS 2920144-51-8
2-(1,4-Diazepan-1-yl)pyrimidin-4-yl trifluoromethanesulfonate
CAS 2920144-51-8C10H13F3N4O3S
tert-Butyl (S)-4-(4-cyanopyrimidin-2-yl)-3-methyl-1,4-diazepane-1-carboxylate chemical structure, C16H23N5O2, CAS 2937328-23-7
tert-Butyl (S)-4-(4-cyanopyrimidin-2-yl)-3-methyl-1,4-diazepane-1-carboxylate
CAS 2937328-23-7C16H23N5O2
tert-Butyl 4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-diazepane-1-carboxylate chemical structure, C15H23BrN4O3, CAS 3030828-09-9
tert-Butyl 4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-diazepane-1-carboxylate
CAS 3030828-09-9C15H23BrN4O3
tert-Butyl 4-[4-(dimethylamino)pyrimidin-2-yl]-1,4-diazepane-1-carboxylate chemical structure, C16H27N5O2, CAS 3054548-81-8
tert-Butyl 4-[4-(dimethylamino)pyrimidin-2-yl]-1,4-diazepane-1-carboxylate
CAS 3054548-81-8C16H27N5O2
tert-Butyl (S)-4-(4-(N'-hydroxycarbamimidoyl)pyrimidin-2-yl)-3-methyl-1,4-diazepane-1-carboxylate chemical structure, C16H26N6O3, CAS 2937332-46-0
tert-Butyl (S)-4-(4-(N'-hydroxycarbamimidoyl)pyrimidin-2-yl)-3-methyl-1,4-diazepane-1-carboxylate
CAS 2937332-46-0C16H26N6O3