3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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

C111H174F3N23O12S3 — CID 158917413

IUPAC3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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)N1CC(Nc2cc(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(OC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1cncc(OC2CCN(S(C)(=O)=O)CC2)c1.CC(C)c1cc(CC2CN(C)C2)ncn1.CN1CCC(Oc2cncc(C(C)(C)C)c2)CC1
InChIInChI=1S/C15H23N3O2.C15H24N2O3S.C15H24N2O.C14H20F3N3.C14H23N3O3S.C13H20N4O.C13H21N3O2S.C12H19N3/c1-11(19)18-7-5-12(6-8-18)20-14-9-13(15(2,3)4)16-10-17-14;1-15(2,3)12-9-14(11-16-10-12)20-13-5-7-17(8-6-13)21(4,18)19;1-15(2,3)12-9-14(11-16-10-12)18-13-5-7-17(4)8-6-13;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;1-9(18)17-6-10(7-17)16-12-5-11(13(2,3)4)14-8-15-12;1-13(2,3)12-6-11(14-9-15-12)5-10-7-16(8-10)19(4,17)18;1-9(2)12-5-11(13-8-14-12)4-10-6-15(3)7-10/h9-10,12H,5-8H2,1-4H3;9-11,13H,5-8H2,1-4H3;9-11,13H,5-8H2,1-4H3;5,9-10H,4,6-8H2,1-3H3;9-11H,5-8H2,1-4H3;5,8,10H,6-7H2,1-4H3,(H,14,15,16);6,9-10H,5,7-8H2,1-4H3;5,8-10H,4,6-7H2,1-3H3
InChIKeyJHKDAMVLAAREHB-UHFFFAOYSA-N
MW2175.96 g/mol
LogP15.91
Rot. Bonds21

About 3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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

3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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 158917413) has the molecular formula C111H174F3N23O12S3 and a molecular weight of 2175.96 g/mol. Its IUPAC name is 3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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 Name3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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 CID158917413
Molecular FormulaC111H174F3N23O12S3
Molecular Weight2175.96 g/mol
Exact Mass2174.28
IUPAC Name3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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)N1CC(Nc2cc(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(OC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1cncc(OC2CCN(S(C)(=O)=O)CC2)c1.CC(C)c1cc(CC2CN(C)C2)ncn1.CN1CCC(Oc2cncc(C(C)(C)C)c2)CC1
InChIInChI=1S/C15H23N3O2.C15H24N2O3S.C15H24N2O.C14H20F3N3.C14H23N3O3S.C13H20N4O.C13H21N3O2S.C12H19N3/c1-11(19)18-7-5-12(6-8-18)20-14-9-13(15(2,3)4)16-10-17-14;1-15(2,3)12-9-14(11-16-10-12)20-13-5-7-17(8-6-13)21(4,18)19;1-15(2,3)12-9-14(11-16-10-12)18-13-5-7-17(4)8-6-13;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;1-9(18)17-6-10(7-17)16-12-5-11(13(2,3)4)14-8-15-12;1-13(2,3)12-6-11(14-9-15-12)5-10-7-16(8-10)19(4,17)18;1-9(2)12-5-11(13-8-14-12)4-10-6-15(3)7-10/h9-10,12H,5-8H2,1-4H3;9-11,13H,5-8H2,1-4H3;9-11,13H,5-8H2,1-4H3;5,9-10H,4,6-8H2,1-3H3;9-11H,5-8H2,1-4H3;5,8,10H,6-7H2,1-4H3,(H,14,15,16);6,9-10H,5,7-8H2,1-4H3;5,8-10H,4,6-7H2,1-3H3
InChIKeyJHKDAMVLAAREHB-UHFFFAOYSA-N
XLogP15.91
TPSA391.89 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002175.96
LogP ≤ 515.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze 3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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

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;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 157167560
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
N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-3-[(2-tert-butyl-4-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpropan-2-amine;1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;tetrakis(2-methylpropane);3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine
CID 157366231
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
4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
CID 157448005
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
N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-3-[(2-tert-butyl-4-pyridinyl)oxy]cyclobutan-1-amine;1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpropan-2-amine;1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;tetrakis(2-methylpropane);3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine
CID 157818126

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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 3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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 158917413) is 3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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 3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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 3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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)N1CC(Nc2cc(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(OC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1cncc(OC2CCN(S(C)(=O)=O)CC2)c1.CC(C)c1cc(CC2CN(C)C2)ncn1.CN1CCC(Oc2cncc(C(C)(C)C)c2)CC1.
What is the InChIKey of 3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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 JHKDAMVLAAREHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.C15H24N2O3S.C15H24N2O.C14H20F3N3.C14H23N3O3S.C13H20N4O.C13H21N3O2S.C12H19N3/c1-11(19)18-7-5-12(6-8-18)20-14-9-13(15(2,3)4)16-10-17-14;1-15(2,3)12-9-14(11-16-10-12)20-13-5-7-17(8-6-13)21(4,18)19;1-15(2,3)12-9-14(11-16-10-12)18-13-5-7-17(4)8-6-13;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;1-9(18)17-6-10(7-17)16-12-5-11(13(2,3)4)14-8-15-12;1-13(2,3)12-6-11(14-9-15-12)5-10-7-16(8-10)19(4,17)18;1-9(2)12-5-11(13-8-14-12)4-10-6-15(3)7-10/h9-10,12H,5-8H2,1-4H3;9-11,13H,5-8H2,1-4H3;9-11,13H,5-8H2,1-4H3;5,9-10H,4,6-8H2,1-3H3;9-11H,5-8H2,1-4H3;5,8,10H,6-7H2,1-4H3,(H,14,15,16);6,9-10H,5,7-8H2,1-4H3;5,8-10H,4,6-7H2,1-3H3.
What are the key properties of 3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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?
3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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 2175.96 g/mol, XLogP of 15.91, 21 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[3-[(6-tert-butylpyrimidin-4-yl)amino]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 158917413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).