6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;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

C121H197N17O10S3 — CID 158139570

About 6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;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

6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;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 (PubChem CID 158139570) has the molecular formula C121H197N17O10S3 and a molecular weight of 2146.22 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;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;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.

Molecular Properties

• Compound Name: 6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;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
• PubChem CID: 158139570
• Molecular Formula: C121H197N17O10S3
• Molecular Weight: 2146.22 g/mol
• Exact Mass: 2144.46
• IUPAC Name: 6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;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
• SMILES: CC(=O)N1CC[C@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)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.CN1CCCC(CCc2cc(C(C)(C)C)ccn2)C1.CN1CCOC(CCc2cc(C(C)(C)C)ccn2)C1
• InChI: InChI=1S/C17H28N2.C17H25NO.C16H26N2O.C16H25NO2S.C14H25N3O2S.C14H23N3O.C14H22N2O.C13H23N3O2S/c1-17(2,3)15-9-10-18-16(12-15)8-7-14-6-5-11-19(4)13-14;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-16(2,3)13-7-8-17-14(11-13)5-6-15-12-18(4)9-10-19-15;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)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;1-13(2,3)11-6-7-14-12(10-11)15-8-9-16(4)19(5,17)18/h9-10,12,14H,5-8,11,13H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;7-8,11,15H,5-6,9-10,12H2,1-4H3;5-7,11,14H,8-10,12H2,1-4H3;7-8,11H,9-10H2,1-6H3;9-11H,5-8H2,1-4H3;8-10,12,15H,4-7H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,14,15)/t;15-;;14-;;;;/m.1.0..../s1
• InChIKey: FTTSLVSVUSZCMS-RTSLOZERSA-N
• XLogP: 20.79
• TPSA: 287.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2146.22
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

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;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;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?

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;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;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 (CID 158139570) is 6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;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.

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;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;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?

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;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;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 is CC(=O)N1CC[C@H](Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)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.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;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;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?

The InChIKey is FTTSLVSVUSZCMS-RTSLOZERSA-N. The full InChI is InChI=1S/C17H28N2.C17H25NO.C16H26N2O.C16H25NO2S.C14H25N3O2S.C14H23N3O.C14H22N2O.C13H23N3O2S/c1-17(2,3)15-9-10-18-16(12-15)8-7-14-6-5-11-19(4)13-14;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-16(2,3)13-7-8-17-14(11-13)5-6-15-12-18(4)9-10-19-15;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)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;1-13(2,3)11-6-7-14-12(10-11)15-8-9-16(4)19(5,17)18/h9-10,12,14H,5-8,11,13H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;7-8,11,15H,5-6,9-10,12H2,1-4H3;5-7,11,14H,8-10,12H2,1-4H3;7-8,11H,9-10H2,1-6H3;9-11H,5-8H2,1-4H3;8-10,12,15H,4-7H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,14,15)/t;15-;;14-;;;;/m.1.0..../s1.

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;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;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?

6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;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 has a molecular weight of 2146.22 g/mol, XLogP of 20.79, 25 rotatable bonds, 2 hydrogen bond donors, and 23 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;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;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 is sourced from PubChem (CID 158139570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).