6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine

C157H257N27O12S3 — CID 158436827

IUPAC6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine
SMILESCC(C)(C)c1cc(CC2CCN(S(C)(=O)=O)C2)ncn1.CC(C)(C)c1cc(OC2CCNCC2)ncn1.CC(C)(C)c1cc(OC2CCOCC2)ncn1.CC(C)(C)c1cncc(CC2CCNC2)c1.CC(C)(C)c1cncc(OC2CCNCC2)c1.CN(CCN(C)S(C)(=O)=O)c1cc(C(C)(C)C)ccn1.CN(CCNc1cc(C(C)(C)C)ccn1)S(C)(=O)=O.CN(c1cc(C(C)(C)C)ncn1)C1CCOCC1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)C1.CN1CCCC(CCc2cc(C(C)(C)C)ccn2)C1.CN1CCOC(CCc2cc(C(C)(C)C)ccn2)C1
InChIInChI=1S/C17H28N2.C16H26N2O.C15H24N2.C14H23N3O2S.C14H25N3O2S.C14H23N3O.C14H22N2O.C14H22N2.C13H23N3O2S.C13H21N3O.C13H20N2O2/c1-17(2,3)15-9-10-18-16(12-15)8-7-14-6-5-11-19(4)13-14;1-16(2,3)13-7-8-17-14(11-13)5-6-15-12-18(4)9-10-19-15;1-15(2,3)13-5-7-16-14(10-13)9-12-6-8-17(4)11-12;1-14(2,3)13-8-12(15-10-16-13)7-11-5-6-17(9-11)20(4,18)19;1-14(2,3)12-7-8-15-13(11-12)16(4)9-10-17(5)20(6,18)19;1-14(2,3)12-9-13(16-10-15-12)17(4)11-5-7-18-8-6-11;1-14(2,3)11-8-13(10-16-9-11)17-12-4-6-15-7-5-12;1-14(2,3)13-7-12(9-16-10-13)6-11-4-5-15-8-11;1-13(2,3)11-6-7-14-12(10-11)15-8-9-16(4)19(5,17)18;1-13(2,3)11-8-12(16-9-15-11)17-10-4-6-14-7-5-10;1-13(2,3)11-8-12(15-9-14-11)17-10-4-6-16-7-5-10/h9-10,12,14H,5-8,11,13H2,1-4H3;7-8,11,15H,5-6,9-10,12H2,1-4H3;5,7,10,12H,6,8-9,11H2,1-4H3;8,10-11H,5-7,9H2,1-4H3;7-8,11H,9-10H2,1-6H3;9-11H,5-8H2,1-4H3;8-10,12,15H,4-7H2,1-3H3;7,9-11,15H,4-6,8H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,14,15);8-10,14H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3
InChIKeyHCIFWNIWSHCWCN-UHFFFAOYSA-N
MW2811.16 g/mol
LogP25.82
Rot. Bonds31

About 6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine

6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine (PubChem CID 158436827) has the molecular formula C157H257N27O12S3 and a molecular weight of 2811.16 g/mol. Its IUPAC name is 6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine.

Molecular Properties

Compound Name6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine
PubChem CID158436827
Molecular FormulaC157H257N27O12S3
Molecular Weight2811.16 g/mol
Exact Mass2808.95
IUPAC Name6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine
SMILESCC(C)(C)c1cc(CC2CCN(S(C)(=O)=O)C2)ncn1.CC(C)(C)c1cc(OC2CCNCC2)ncn1.CC(C)(C)c1cc(OC2CCOCC2)ncn1.CC(C)(C)c1cncc(CC2CCNC2)c1.CC(C)(C)c1cncc(OC2CCNCC2)c1.CN(CCN(C)S(C)(=O)=O)c1cc(C(C)(C)C)ccn1.CN(CCNc1cc(C(C)(C)C)ccn1)S(C)(=O)=O.CN(c1cc(C(C)(C)C)ncn1)C1CCOCC1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)C1.CN1CCCC(CCc2cc(C(C)(C)C)ccn2)C1.CN1CCOC(CCc2cc(C(C)(C)C)ccn2)C1
InChIInChI=1S/C17H28N2.C16H26N2O.C15H24N2.C14H23N3O2S.C14H25N3O2S.C14H23N3O.C14H22N2O.C14H22N2.C13H23N3O2S.C13H21N3O.C13H20N2O2/c1-17(2,3)15-9-10-18-16(12-15)8-7-14-6-5-11-19(4)13-14;1-16(2,3)13-7-8-17-14(11-13)5-6-15-12-18(4)9-10-19-15;1-15(2,3)13-5-7-16-14(10-13)9-12-6-8-17(4)11-12;1-14(2,3)13-8-12(15-10-16-13)7-11-5-6-17(9-11)20(4,18)19;1-14(2,3)12-7-8-15-13(11-12)16(4)9-10-17(5)20(6,18)19;1-14(2,3)12-9-13(16-10-15-12)17(4)11-5-7-18-8-6-11;1-14(2,3)11-8-13(10-16-9-11)17-12-4-6-15-7-5-12;1-14(2,3)13-7-12(9-16-10-13)6-11-4-5-15-8-11;1-13(2,3)11-6-7-14-12(10-11)15-8-9-16(4)19(5,17)18;1-13(2,3)11-8-12(16-9-15-11)17-10-4-6-14-7-5-10;1-13(2,3)11-8-12(15-9-14-11)17-10-4-6-16-7-5-10/h9-10,12,14H,5-8,11,13H2,1-4H3;7-8,11,15H,5-6,9-10,12H2,1-4H3;5,7,10,12H,6,8-9,11H2,1-4H3;8,10-11H,5-7,9H2,1-4H3;7-8,11H,9-10H2,1-6H3;9-11H,5-8H2,1-4H3;8-10,12,15H,4-7H2,1-3H3;7,9-11,15H,4-6,8H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,14,15);8-10,14H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3
InChIKeyHCIFWNIWSHCWCN-UHFFFAOYSA-N
XLogP25.82
TPSA425.19 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds31
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002811.16
LogP ≤ 525.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Analyze 6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-4-fluoro-1H-indene;4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 158260400
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;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 158867438
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
4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl-methylamino]propan-2-one;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;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;methane
CID 157271261
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;6-(3-tert-butylphenoxy)hexan-2-one;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;2-[(4-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylethanamine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158703441
4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 160595346
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;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-tert-butylquinoline;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;4-tert-butyl-2-(6,6,6-trifluorohexyl)pyridine
CID 162258240
1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine
CID 160549475
4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 157238992
3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine
CID 161439052
1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol
CID 161124583
1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane
CID 161015124

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine?
The IUPAC name of 6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine (CID 158436827) is 6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine.
What is the SMILES notation for 6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine?
The canonical SMILES for 6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine is CC(C)(C)c1cc(CC2CCN(S(C)(=O)=O)C2)ncn1.CC(C)(C)c1cc(OC2CCNCC2)ncn1.CC(C)(C)c1cc(OC2CCOCC2)ncn1.CC(C)(C)c1cncc(CC2CCNC2)c1.CC(C)(C)c1cncc(OC2CCNCC2)c1.CN(CCN(C)S(C)(=O)=O)c1cc(C(C)(C)C)ccn1.CN(CCNc1cc(C(C)(C)C)ccn1)S(C)(=O)=O.CN(c1cc(C(C)(C)C)ncn1)C1CCOCC1.CN1CCC(Cc2cc(C(C)(C)C)ccn2)C1.CN1CCCC(CCc2cc(C(C)(C)C)ccn2)C1.CN1CCOC(CCc2cc(C(C)(C)C)ccn2)C1.
What is the InChIKey of 6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine?
The InChIKey is HCIFWNIWSHCWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.C16H26N2O.C15H24N2.C14H23N3O2S.C14H25N3O2S.C14H23N3O.C14H22N2O.C14H22N2.C13H23N3O2S.C13H21N3O.C13H20N2O2/c1-17(2,3)15-9-10-18-16(12-15)8-7-14-6-5-11-19(4)13-14;1-16(2,3)13-7-8-17-14(11-13)5-6-15-12-18(4)9-10-19-15;1-15(2,3)13-5-7-16-14(10-13)9-12-6-8-17(4)11-12;1-14(2,3)13-8-12(15-10-16-13)7-11-5-6-17(9-11)20(4,18)19;1-14(2,3)12-7-8-15-13(11-12)16(4)9-10-17(5)20(6,18)19;1-14(2,3)12-9-13(16-10-15-12)17(4)11-5-7-18-8-6-11;1-14(2,3)11-8-13(10-16-9-11)17-12-4-6-15-7-5-12;1-14(2,3)13-7-12(9-16-10-13)6-11-4-5-15-8-11;1-13(2,3)11-6-7-14-12(10-11)15-8-9-16(4)19(5,17)18;1-13(2,3)11-8-12(16-9-15-11)17-10-4-6-14-7-5-10;1-13(2,3)11-8-12(15-9-14-11)17-10-4-6-16-7-5-10/h9-10,12,14H,5-8,11,13H2,1-4H3;7-8,11,15H,5-6,9-10,12H2,1-4H3;5,7,10,12H,6,8-9,11H2,1-4H3;8,10-11H,5-7,9H2,1-4H3;7-8,11H,9-10H2,1-6H3;9-11H,5-8H2,1-4H3;8-10,12,15H,4-7H2,1-3H3;7,9-11,15H,4-6,8H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,14,15);8-10,14H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3.
What are the key properties of 6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine?
6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine has a molecular weight of 2811.16 g/mol, XLogP of 25.82, 31 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine is sourced from PubChem (CID 158436827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).