4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine

C139H215F3N26O13S3 — CID 159520113

IUPAC4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
SMILESCC(=O)CN(C)CCOc1cccc(C(C)(C)C)c1.CC(=O)N1CC(Cc2cc(C(C)(C)C)ccn2)C1.CC(=O)N1CC(Cc2cc(C(C)(C)C)ncn2)C1.CC(=O)N1CCC(Oc2cc(C(C)(C)C)ncn2)CC1.CC(C)(C)c1cc(CC2CN(CC(F)(F)F)C2)ncn1.CC(C)(C)c1cc(CC2CN(S(C)(=O)=O)C2)ncn1.CC(C)(C)c1cc(CC2CNC2)ncn1.CC(C)(C)c1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1ccnc(CC2CN(S(C)(=O)=O)C2)c1.CC(C)c1cc(CC2CN(C)C2)ncn1
InChIInChI=1S/C16H25NO2.C15H23N3O2.C15H22N2O.C14H20F3N3.C14H23N3O3S.C14H21N3O.C14H22N2O2S.C13H21N3O2S.2C12H19N3/c1-13(18)12-17(5)9-10-19-15-8-6-7-14(11-15)16(2,3)4;1-11(19)18-7-5-12(6-8-18)20-14-9-13(15(2,3)4)16-10-17-14;1-11(18)17-9-12(10-17)7-14-8-13(5-6-16-14)15(2,3)4;1-13(2,3)12-5-11(18-9-19-12)4-10-6-20(7-10)8-14(15,16)17;1-14(2,3)12-9-13(16-10-15-12)20-11-5-7-17(8-6-11)21(4,18)19;1-10(18)17-7-11(8-17)5-12-6-13(14(2,3)4)16-9-15-12;1-14(2,3)12-5-6-15-13(8-12)7-11-9-16(10-11)19(4,17)18;1-13(2,3)12-6-11(14-9-15-12)5-10-7-16(8-10)19(4,17)18;1-12(2,3)11-5-10(14-8-15-11)4-9-6-13-7-9;1-9(2)12-5-11(13-8-14-12)4-10-6-15(3)7-10/h6-8,11H,9-10,12H2,1-5H3;9-10,12H,5-8H2,1-4H3;5-6,8,12H,7,9-10H2,1-4H3;5,9-10H,4,6-8H2,1-3H3;9-11H,5-8H2,1-4H3;6,9,11H,5,7-8H2,1-4H3;5-6,8,11H,7,9-10H2,1-4H3;6,9-10H,5,7-8H2,1-4H3;5,8-9,13H,4,6-7H2,1-3H3;5,8-10H,4,6-7H2,1-3H3
InChIKeyMBRWXHQMCBIQHE-UHFFFAOYSA-N
MW2611.61 g/mol
LogP19.89
Rot. Bonds29

About 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine

4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine (PubChem CID 159520113) has the molecular formula C139H215F3N26O13S3 and a molecular weight of 2611.61 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
PubChem CID159520113
Molecular FormulaC139H215F3N26O13S3
Molecular Weight2611.61 g/mol
Exact Mass2609.61
IUPAC Name4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine
SMILESCC(=O)CN(C)CCOc1cccc(C(C)(C)C)c1.CC(=O)N1CC(Cc2cc(C(C)(C)C)ccn2)C1.CC(=O)N1CC(Cc2cc(C(C)(C)C)ncn2)C1.CC(=O)N1CCC(Oc2cc(C(C)(C)C)ncn2)CC1.CC(C)(C)c1cc(CC2CN(CC(F)(F)F)C2)ncn1.CC(C)(C)c1cc(CC2CN(S(C)(=O)=O)C2)ncn1.CC(C)(C)c1cc(CC2CNC2)ncn1.CC(C)(C)c1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1ccnc(CC2CN(S(C)(=O)=O)C2)c1.CC(C)c1cc(CC2CN(C)C2)ncn1
InChIInChI=1S/C16H25NO2.C15H23N3O2.C15H22N2O.C14H20F3N3.C14H23N3O3S.C14H21N3O.C14H22N2O2S.C13H21N3O2S.2C12H19N3/c1-13(18)12-17(5)9-10-19-15-8-6-7-14(11-15)16(2,3)4;1-11(19)18-7-5-12(6-8-18)20-14-9-13(15(2,3)4)16-10-17-14;1-11(18)17-9-12(10-17)7-14-8-13(5-6-16-14)15(2,3)4;1-13(2,3)12-5-11(18-9-19-12)4-10-6-20(7-10)8-14(15,16)17;1-14(2,3)12-9-13(16-10-15-12)20-11-5-7-17(8-6-11)21(4,18)19;1-10(18)17-7-11(8-17)5-12-6-13(14(2,3)4)16-9-15-12;1-14(2,3)12-5-6-15-13(8-12)7-11-9-16(10-11)19(4,17)18;1-13(2,3)12-6-11(14-9-15-12)5-10-7-16(8-10)19(4,17)18;1-12(2,3)11-5-10(14-8-15-11)4-9-6-13-7-9;1-9(2)12-5-11(13-8-14-12)4-10-6-15(3)7-10/h6-8,11H,9-10,12H2,1-5H3;9-10,12H,5-8H2,1-4H3;5-6,8,12H,7,9-10H2,1-4H3;5,9-10H,4,6-8H2,1-3H3;9-11H,5-8H2,1-4H3;6,9,11H,5,7-8H2,1-4H3;5-6,8,11H,7,9-10H2,1-4H3;6,9-10H,5,7-8H2,1-4H3;5,8-9,13H,4,6-7H2,1-3H3;5,8-10H,4,6-7H2,1-3H3
InChIKeyMBRWXHQMCBIQHE-UHFFFAOYSA-N
XLogP19.89
TPSA445.82 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002611.61
LogP ≤ 519.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157333860
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157377566
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157428196
2-tert-butyl-4-fluoro-1H-indene;4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine
CID 157471433
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157609237
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157646118
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157658480
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157664120
2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157795294
4-(Azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-6-[(1-methylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine
CID 157992841
2-butoxy-4-tert-butylpyridine;4-tert-butyl-5-fluoro-6-(oxetan-3-ylmethyl)pyrimidine;4-tert-butyl-6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)oxy]ethyl]-2,2,2-trifluoroethanamine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-3-methylbutan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-2-methylpropan-1-one;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclobutylmethanone;[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 158175991
4-tert-butyl-6-[(4-methoxycyclohexyl)methyl]pyrimidine;1-[4-[(4-tert-butyl-6-methoxy-2-pyridinyl)methyl]piperidin-1-yl]ethanone;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]acetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N,N-dimethylacetamide;2-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-N-methylacetamide;5-tert-butyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
CID 158221484

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine?
The IUPAC name of 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine (CID 159520113) is 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine is CC(=O)CN(C)CCOc1cccc(C(C)(C)C)c1.CC(=O)N1CC(Cc2cc(C(C)(C)C)ccn2)C1.CC(=O)N1CC(Cc2cc(C(C)(C)C)ncn2)C1.CC(=O)N1CCC(Oc2cc(C(C)(C)C)ncn2)CC1.CC(C)(C)c1cc(CC2CN(CC(F)(F)F)C2)ncn1.CC(C)(C)c1cc(CC2CN(S(C)(=O)=O)C2)ncn1.CC(C)(C)c1cc(CC2CNC2)ncn1.CC(C)(C)c1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1ccnc(CC2CN(S(C)(=O)=O)C2)c1.CC(C)c1cc(CC2CN(C)C2)ncn1.
What is the InChIKey of 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine?
The InChIKey is MBRWXHQMCBIQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.C15H23N3O2.C15H22N2O.C14H20F3N3.C14H23N3O3S.C14H21N3O.C14H22N2O2S.C13H21N3O2S.2C12H19N3/c1-13(18)12-17(5)9-10-19-15-8-6-7-14(11-15)16(2,3)4;1-11(19)18-7-5-12(6-8-18)20-14-9-13(15(2,3)4)16-10-17-14;1-11(18)17-9-12(10-17)7-14-8-13(5-6-16-14)15(2,3)4;1-13(2,3)12-5-11(18-9-19-12)4-10-6-20(7-10)8-14(15,16)17;1-14(2,3)12-9-13(16-10-15-12)20-11-5-7-17(8-6-11)21(4,18)19;1-10(18)17-7-11(8-17)5-12-6-13(14(2,3)4)16-9-15-12;1-14(2,3)12-5-6-15-13(8-12)7-11-9-16(10-11)19(4,17)18;1-13(2,3)12-6-11(14-9-15-12)5-10-7-16(8-10)19(4,17)18;1-12(2,3)11-5-10(14-8-15-11)4-9-6-13-7-9;1-9(2)12-5-11(13-8-14-12)4-10-6-15(3)7-10/h6-8,11H,9-10,12H2,1-5H3;9-10,12H,5-8H2,1-4H3;5-6,8,12H,7,9-10H2,1-4H3;5,9-10H,4,6-8H2,1-3H3;9-11H,5-8H2,1-4H3;6,9,11H,5,7-8H2,1-4H3;5-6,8,11H,7,9-10H2,1-4H3;6,9-10H,5,7-8H2,1-4H3;5,8-9,13H,4,6-7H2,1-3H3;5,8-10H,4,6-7H2,1-3H3.
What are the key properties of 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine?
4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine has a molecular weight of 2611.61 g/mol, XLogP of 19.89, 29 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethyl)-6-tert-butylpyrimidine;4-tert-butyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[2-(3-tert-butylphenoxy)ethyl-methylamino]propan-2-one;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]azetidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]ethanone;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyrimidine;4-[(1-methylazetidin-3-yl)methyl]-6-propan-2-ylpyrimidine is sourced from PubChem (CID 159520113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).