C147H233F3N20O10S2 — CID 158703441
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 (PubChem CID 158703441) has the molecular formula C147H233F3N20O10S2 and a molecular weight of 2561.74 g/mol. Its IUPAC name is 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.
| Compound Name | 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 |
|---|---|
| PubChem CID | 158703441 |
| Molecular Formula | C147H233F3N20O10S2 |
| Molecular Weight | 2561.74 g/mol |
| Exact Mass | 2559.77 |
| IUPAC Name | 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 |
| SMILES | CC(=O)CCCCOc1cccc(C(C)(C)C)c1.CC(=O)N1CCC(Cc2cc(C(C)(C)C)ccn2)C1.CC(C)(C)c1cc(CC2CCOC2)ncn1.CC(C)(C)c1ccnc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1ccnc(CC2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1ccnc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1ccnc(CC2CCNCC2)c1.CN(C)CCOc1cc(C(C)(C)C)ccn1.CNCCN(C)c1cc(C(C)(C)C)ccn1.Cc1c(NC2CCOCC2)ncnc1C(C)(C)C |
| InChI | InChI=1S/C16H23F3N2.C16H26N2O2S.C16H24N2O.C16H24O2.C15H24N2O2S.C15H24N2.C14H23N3O.C13H23N3.C13H20N2O.C13H22N2O/c1-15(2,3)13-4-6-20-14(9-13)8-12-5-7-21(10-12)11-16(17,18)19;1-16(2,3)14-5-8-17-15(12-14)11-13-6-9-18(10-7-13)21(4,19)20;1-12(19)18-8-6-13(11-18)9-15-10-14(5-7-17-15)16(2,3)4;1-13(17)8-5-6-11-18-15-10-7-9-14(12-15)16(2,3)4;1-15(2,3)13-5-7-16-14(10-13)9-12-6-8-17(11-12)20(4,18)19;1-15(2,3)13-6-9-17-14(11-13)10-12-4-7-16-8-5-12;1-10-12(14(2,3)4)15-9-16-13(10)17-11-5-7-18-8-6-11;1-13(2,3)11-6-7-15-12(10-11)16(5)9-8-14-4;1-13(2,3)12-7-11(14-9-15-12)6-10-4-5-16-8-10;1-13(2,3)11-6-7-14-12(10-11)16-9-8-15(4)5/h4,6,9,12H,5,7-8,10-11H2,1-3H3;5,8,12-13H,6-7,9-11H2,1-4H3;5,7,10,13H,6,8-9,11H2,1-4H3;7,9-10,12H,5-6,8,11H2,1-4H3;5,7,10,12H,6,8-9,11H2,1-4H3;6,9,11-12,16H,4-5,7-8,10H2,1-3H3;9,11H,5-8H2,1-4H3,(H,15,16,17);6-7,10,14H,8-9H2,1-5H3;7,9-10H,4-6,8H2,1-3H3;6-7,10H,8-9H2,1-5H3 |
| InChIKey | IHVGGVGVVJWHFQ-UHFFFAOYSA-N |
| XLogP | 27.82 |
| TPSA | 336.66 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 182 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2561.74 |
| LogP ≤ 5 | 27.82 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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