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Murcko scaffold

1,3-Diazacyclohexane scaffold

98 chemicals on CompoundList share this ring system.

Rings
1
Scaffold atoms
6
Chemicals
98
With full pages
5
Scaffold SMILES

C1CNCNC1

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. This is a very common single ring, so the list below is broad.

Substructure search with this scaffoldOpen the 1,3-Diazacyclohexane page
Murcko scaffold C1CNCNC1

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 48 of 98 chemicals

Hexetidine chemical structure, C21H45N3, CAS 141-94-6
Hexetidine
CAS 141-94-6C21H45N3
Ethanamine, 2-((1,4,5,6-tetrahydro-2-pyrimidinyl)thio)-, dihydrobromide chemical structure, C6H17Br2N3S, CAS 16181-77-4
Ethanamine, 2-((1,4,5,6-tetrahydro-2-pyrimidinyl)thio)-, dihydrobromide
CAS 16181-77-4C6H17Br2N3S
Ethanamine, N,N-dimethyl-2-((1,4,5,6-tetrahydro-2-pyrimidinyl)thio)-, dihydrochloride chemical structure, C8H21Cl2N3S, CAS 16181-79-6
Ethanamine, N,N-dimethyl-2-((1,4,5,6-tetrahydro-2-pyrimidinyl)thio)-, dihydrochloride
CAS 16181-79-6C8H21Cl2N3S
Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro- chemical structure, C21H43N3O2, CAS 56672-87-8
Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro-
CAS 56672-87-8C21H43N3O2
1,3-Dinitro-1,3-diazacyclohexane chemical structure, C4H8N4O4, CAS 5754-89-2
1,3-Dinitro-1,3-diazacyclohexane
CAS 5754-89-2C4H8N4O4
Pyrimidine, hexahydro-1,3-dimethyl- chemical structure, C6H14N2, CAS 10556-96-4
Pyrimidine, hexahydro-1,3-dimethyl-
CAS 10556-96-4C6H14N2
1,1,3,5-Tetranitrohexahydropyrimidine chemical structure, C4H6N6O8, CAS 81360-42-1
1,1,3,5-Tetranitrohexahydropyrimidine
CAS 81360-42-1C4H6N6O8
1,3-Bis(2,4,4-trimethylpentan-2-yl)-1,3-diazinan-5-ol chemical structure, C20H42N2O, CAS 5413-29-6
1,3-Bis(2,4,4-trimethylpentan-2-yl)-1,3-diazinan-5-ol
CAS 5413-29-6C20H42N2O
4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol chemical structure, C7H16N2OS, CAS 6966-57-0
4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol
CAS 6966-57-0C7H16N2OS
1,1'-(Dihydropyrimidine-1,3(2H,4H)-diyl)bis(octan-1-one) chemical structure, C20H38N2O2, CAS 32634-20-1
1,1'-(Dihydropyrimidine-1,3(2H,4H)-diyl)bis(octan-1-one)
CAS 32634-20-1C20H38N2O2
1,1'-Dihydropyrimidine-1,3(2H,4H)-diyldidecan-1-one chemical structure, C24H46N2O2, CAS 32634-22-3
1,1'-Dihydropyrimidine-1,3(2H,4H)-diyldidecan-1-one
CAS 32634-22-3C24H46N2O2
1,1'-Dihydropyrimidine-1,3(2H,4H)-diyldihexadecan-1-one chemical structure, C36H70N2O2, CAS 32644-62-5
1,1'-Dihydropyrimidine-1,3(2H,4H)-diyldihexadecan-1-one
CAS 32644-62-5C36H70N2O2
1,3(2H,4H)-Pyrimidinediacetonitrile, dihydro- chemical structure, C8H12N4, CAS 61996-64-3
1,3(2H,4H)-Pyrimidinediacetonitrile, dihydro-
CAS 61996-64-3C8H12N4
2-Ethyl-1,3-dimethylhexahydropyrimidine chemical structure, C8H18N2, CAS 22385-51-9
2-Ethyl-1,3-dimethylhexahydropyrimidine
CAS 22385-51-9C8H18N2
1,3-Dimethyl-2-propylhexahydropyrimidine chemical structure, C9H20N2, CAS 500886-57-7
1,3-Dimethyl-2-propylhexahydropyrimidine
CAS 500886-57-7C9H20N2
1-Methylhexahydropyrimidine chemical structure, C5H12N2, CAS 31952-00-8
1-Methylhexahydropyrimidine
CAS 31952-00-8C5H12N2
Dimethyl-[3-(tetrahydro-pyrimidin-1-yl)-propyl]-amine chemical structure, C9H21N3, CAS 510764-57-5
Dimethyl-[3-(tetrahydro-pyrimidin-1-yl)-propyl]-amine
CAS 510764-57-5C9H21N3
1,3-Diazacyclohexane chemical structure, C4H10N2, CAS 505-21-5
1,3-Diazacyclohexane
CAS 505-21-5C4H10N2
2,2-Difluoro-1,3-dimethyl-1,3-diazinane chemical structure, C6H12F2N2, CAS 497181-15-4
2,2-Difluoro-1,3-dimethyl-1,3-diazinane
CAS 497181-15-4C6H12F2N2
Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso- chemical structure, C5H8ClN5O4, CAS 88820-11-5
Pyrimidine, 5-(chloromethyl)hexahydro-5-nitro-1,3-dinitroso-
CAS 88820-11-5C5H8ClN5O4
Pyrimidine, hexahydro-1,3,5-trimethyl-5-nitro- chemical structure, C7H15N3O2, CAS 937-89-3
Pyrimidine, hexahydro-1,3,5-trimethyl-5-nitro-
CAS 937-89-3C7H15N3O2
1,3-Di-tert-butyl-5-ethyl-5-nitro-1,3-diazinane chemical structure, C14H29N3O2, CAS 300396-33-2
1,3-Di-tert-butyl-5-ethyl-5-nitro-1,3-diazinane
CAS 300396-33-2C14H29N3O2
5-Pyrimidinemethanol, hexahydro-1,3-bis(1-methylethyl)-5-nitro- chemical structure, C11H23N3O3, CAS 229477-36-5
5-Pyrimidinemethanol, hexahydro-1,3-bis(1-methylethyl)-5-nitro-
CAS 229477-36-5C11H23N3O3
Pyrimidine, 1,3-bis(2,2-dimethyl-1-oxopropyl)hexahydro- chemical structure, C14H26N2O2, CAS 116046-92-5
Pyrimidine, 1,3-bis(2,2-dimethyl-1-oxopropyl)hexahydro-
CAS 116046-92-5C14H26N2O2