4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine

C199H311F9N30O8S — CID 158581502

IUPAC4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
SMILESCC(=O)N1CCC(Cc2cc(C(C)(C)C)ncn2)C1.CC(=O)N1CCC(Nc2cc(C(C)(C)C)ncn2)CC1.CC(=O)N1CCC(Nc2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)c1cc(CC2CCNC2)ncn1.CC(C)(C)c1cc(CC2CCOC2)ncn1.CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)CC2)c1.CN(C)CCNc1ccc(C(C)(C)C)cn1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)CC1.C[C@@H]1COCCC1Cc1cc(C(C)(C)C)ncn1.C[C@H]1COCCC1Cc1cc(C(C)(C)C)ncn1
InChIInChI=1S/C18H26F3N.C17H25F3N2.C17H27NO2S.C16H23F3N2.C16H25N3O.C16H26N2.C15H24N4O.C15H23N3O.2C15H24N2O.C13H21N3.C13H23N3.C13H20N2O/c1-17(2,3)16-6-4-5-15(12-16)11-14-7-9-22(10-8-14)13-18(19,20)21;1-16(2,3)14-4-7-21-15(11-14)10-13-5-8-22(9-6-13)12-17(18,19)20;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(11-9-14)21(4,19)20;1-15(2,3)13-4-6-20-14(9-13)8-12-5-7-21(10-12)11-16(17,18)19;1-12(20)19-9-7-14(8-10-19)18-15-6-5-13(11-17-15)16(2,3)4;1-16(2,3)14-5-8-17-15(12-14)11-13-6-9-18(4)10-7-13;1-11(20)19-7-5-12(6-8-19)18-14-9-13(15(2,3)4)16-10-17-14;1-11(19)18-6-5-12(9-18)7-13-8-14(15(2,3)4)17-10-16-13;2*1-11-9-18-6-5-12(11)7-13-8-14(15(2,3)4)17-10-16-13;1-13(2,3)12-7-11(15-9-16-12)6-10-4-5-14-8-10;1-13(2,3)11-6-7-12(15-10-11)14-8-9-16(4)5;1-13(2,3)12-7-11(14-9-15-12)6-10-4-5-16-8-10/h4-6,12,14H,7-11,13H2,1-3H3;4,7,11,13H,5-6,8-10,12H2,1-3H3;5-7,13-14H,8-12H2,1-4H3;4,6,9,12H,5,7-8,10-11H2,1-3H3;5-6,11,14H,7-10H2,1-4H3,(H,17,18);5,8,12-13H,6-7,9-11H2,1-4H3;9-10,12H,5-8H2,1-4H3,(H,16,17,18);8,10,12H,5-7,9H2,1-4H3;2*8,10-12H,5-7,9H2,1-4H3;7,9-10,14H,4-6,8H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,14,15);7,9-10H,4-6,8H2,1-3H3/t;;;;;;;;2*11-,12?;;;/m........10.../s1
InChIKeyHTHQEMBILAMQLF-HYCKDCPLSA-N
MW3454.93 g/mol
LogP39.06
Rot. Bonds32

About 4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine

4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine (PubChem CID 158581502) has the molecular formula C199H311F9N30O8S and a molecular weight of 3454.93 g/mol. Its IUPAC name is 4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
PubChem CID158581502
Molecular FormulaC199H311F9N30O8S
Molecular Weight3454.93 g/mol
Exact Mass3452.44
IUPAC Name4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
SMILESCC(=O)N1CCC(Cc2cc(C(C)(C)C)ncn2)C1.CC(=O)N1CCC(Nc2cc(C(C)(C)C)ncn2)CC1.CC(=O)N1CCC(Nc2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)c1cc(CC2CCNC2)ncn1.CC(C)(C)c1cc(CC2CCOC2)ncn1.CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)CC2)c1.CN(C)CCNc1ccc(C(C)(C)C)cn1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)CC1.C[C@@H]1COCCC1Cc1cc(C(C)(C)C)ncn1.C[C@H]1COCCC1Cc1cc(C(C)(C)C)ncn1
InChIInChI=1S/C18H26F3N.C17H25F3N2.C17H27NO2S.C16H23F3N2.C16H25N3O.C16H26N2.C15H24N4O.C15H23N3O.2C15H24N2O.C13H21N3.C13H23N3.C13H20N2O/c1-17(2,3)16-6-4-5-15(12-16)11-14-7-9-22(10-8-14)13-18(19,20)21;1-16(2,3)14-4-7-21-15(11-14)10-13-5-8-22(9-6-13)12-17(18,19)20;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(11-9-14)21(4,19)20;1-15(2,3)13-4-6-20-14(9-13)8-12-5-7-21(10-12)11-16(17,18)19;1-12(20)19-9-7-14(8-10-19)18-15-6-5-13(11-17-15)16(2,3)4;1-16(2,3)14-5-8-17-15(12-14)11-13-6-9-18(4)10-7-13;1-11(20)19-7-5-12(6-8-19)18-14-9-13(15(2,3)4)16-10-17-14;1-11(19)18-6-5-12(9-18)7-13-8-14(15(2,3)4)17-10-16-13;2*1-11-9-18-6-5-12(11)7-13-8-14(15(2,3)4)17-10-16-13;1-13(2,3)12-7-11(15-9-16-12)6-10-4-5-14-8-10;1-13(2,3)11-6-7-12(15-10-11)14-8-9-16(4)5;1-13(2,3)12-7-11(14-9-15-12)6-10-4-5-16-8-10/h4-6,12,14H,7-11,13H2,1-3H3;4,7,11,13H,5-6,8-10,12H2,1-3H3;5-7,13-14H,8-12H2,1-4H3;4,6,9,12H,5,7-8,10-11H2,1-3H3;5-6,11,14H,7-10H2,1-4H3,(H,17,18);5,8,12-13H,6-7,9-11H2,1-4H3;9-10,12H,5-8H2,1-4H3,(H,16,17,18);8,10,12H,5-7,9H2,1-4H3;2*8,10-12H,5-7,9H2,1-4H3;7,9-10,14H,4-6,8H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,14,15);7,9-10H,4-6,8H2,1-3H3/t;;;;;;;;2*11-,12?;;;/m........10.../s1
InChIKeyHTHQEMBILAMQLF-HYCKDCPLSA-N
XLogP39.06
TPSA409.45 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds32
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003454.93
LogP ≤ 539.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Analyze 4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine with MolForge

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Related Compounds

3-Methoxy-1-[3-[2-[1-[3-[2-[2-[[1-methyl-4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-2-yl]methyl]pyrrolidin-1-yl]-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethyl]-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 123965268
1-[3-[2-[1-[3-[2-(2,3-dimethylpyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethyl]-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-3-methoxypropan-1-one;ethane;2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740160
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
4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;bis(1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone);N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;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;methane
CID 157357635
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine
CID 157914188
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158054056
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;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;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;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-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 158333276
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-(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 158449583
2-tert-butyl-4-fluoro-1H-indene;4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;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;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 158772126
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158957392
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 159161545
4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;3-(4-tert-butyl-2-pyridinyl)-N,N-dimethylpropan-1-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 159507248

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?
The IUPAC name of 4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine (CID 158581502) is 4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine.
What is the SMILES notation for 4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?
The canonical SMILES for 4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine is CC(=O)N1CCC(Cc2cc(C(C)(C)C)ncn2)C1.CC(=O)N1CCC(Nc2cc(C(C)(C)C)ncn2)CC1.CC(=O)N1CCC(Nc2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)c1cc(CC2CCNC2)ncn1.CC(C)(C)c1cc(CC2CCOC2)ncn1.CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)CC2)c1.CN(C)CCNc1ccc(C(C)(C)C)cn1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)CC1.C[C@@H]1COCCC1Cc1cc(C(C)(C)C)ncn1.C[C@H]1COCCC1Cc1cc(C(C)(C)C)ncn1.
What is the InChIKey of 4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?
The InChIKey is HTHQEMBILAMQLF-HYCKDCPLSA-N. The full InChI is InChI=1S/C18H26F3N.C17H25F3N2.C17H27NO2S.C16H23F3N2.C16H25N3O.C16H26N2.C15H24N4O.C15H23N3O.2C15H24N2O.C13H21N3.C13H23N3.C13H20N2O/c1-17(2,3)16-6-4-5-15(12-16)11-14-7-9-22(10-8-14)13-18(19,20)21;1-16(2,3)14-4-7-21-15(11-14)10-13-5-8-22(9-6-13)12-17(18,19)20;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(11-9-14)21(4,19)20;1-15(2,3)13-4-6-20-14(9-13)8-12-5-7-21(10-12)11-16(17,18)19;1-12(20)19-9-7-14(8-10-19)18-15-6-5-13(11-17-15)16(2,3)4;1-16(2,3)14-5-8-17-15(12-14)11-13-6-9-18(4)10-7-13;1-11(20)19-7-5-12(6-8-19)18-14-9-13(15(2,3)4)16-10-17-14;1-11(19)18-6-5-12(9-18)7-13-8-14(15(2,3)4)17-10-16-13;2*1-11-9-18-6-5-12(11)7-13-8-14(15(2,3)4)17-10-16-13;1-13(2,3)12-7-11(15-9-16-12)6-10-4-5-14-8-10;1-13(2,3)11-6-7-12(15-10-11)14-8-9-16(4)5;1-13(2,3)12-7-11(14-9-15-12)6-10-4-5-16-8-10/h4-6,12,14H,7-11,13H2,1-3H3;4,7,11,13H,5-6,8-10,12H2,1-3H3;5-7,13-14H,8-12H2,1-4H3;4,6,9,12H,5,7-8,10-11H2,1-3H3;5-6,11,14H,7-10H2,1-4H3,(H,17,18);5,8,12-13H,6-7,9-11H2,1-4H3;9-10,12H,5-8H2,1-4H3,(H,16,17,18);8,10,12H,5-7,9H2,1-4H3;2*8,10-12H,5-7,9H2,1-4H3;7,9-10,14H,4-6,8H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,14,15);7,9-10H,4-6,8H2,1-3H3/t;;;;;;;;2*11-,12?;;;/m........10.../s1.
What are the key properties of 4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?
4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine has a molecular weight of 3454.93 g/mol, XLogP of 39.06, 32 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[[(3S)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-6-[[(3R)-3-methyloxan-4-yl]methyl]pyrimidine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;1-[4-[(5-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;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-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine is sourced from PubChem (CID 158581502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).