N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)

C113H146F9N19O10 — CID 159933860

About N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)

N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine) (PubChem CID 159933860) has the molecular formula C113H146F9N19O10 and a molecular weight of 2101.52 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine).

Molecular Properties

• Compound Name: N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)
• PubChem CID: 159933860
• Molecular Formula: C113H146F9N19O10
• Molecular Weight: 2101.52 g/mol
• Exact Mass: 2100.14
• IUPAC Name: N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)
• SMILES: CN1CCC2=C(CN=C2C(=O)N(C)CCOc2ccccc2C(C)(C)C)C1.COC(=O)c1cc(C)nc(N(C)CCOc2ccccc2C(C)(C)C)n1.Cc1cc(C)nc(N(C)CCOc2ccccc2C(C)(C)C)n1.Cc1cc(OCCN(C)C(=O)c2nnc3n2CCCC3)cc(C(F)(F)F)c1.Cc1cc(OCCN(C)c2nc(C)cc(C)n2)cc(C(F)(F)F)c1.Cc1cc(OCCN(C)c2nc(C)cc(C)n2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C22H31N3O2.C20H27N3O3.C19H27N3O.C18H21F3N4O2.2C17H20F3N3O/c1-22(2,3)18-8-6-7-9-19(18)27-13-12-25(5)21(26)20-17-10-11-24(4)15-16(17)14-23-20;1-14-13-16(18(24)25-6)22-19(21-14)23(5)11-12-26-17-10-8-7-9-15(17)20(2,3)4;1-14-13-15(2)21-18(20-14)22(6)11-12-23-17-10-8-7-9-16(17)19(3,4)5;1-12-9-13(18(19,20)21)11-14(10-12)27-8-7-24(2)17(26)16-23-22-15-5-3-4-6-25(15)16;2*1-11-7-14(17(18,19)20)10-15(8-11)24-6-5-23(4)16-21-12(2)9-13(3)22-16/h6-9H,10-15H2,1-5H3;7-10,13H,11-12H2,1-6H3;7-10,13H,11-12H2,1-6H3;9-11H,3-8H2,1-2H3;2*7-10H,5-6H2,1-4H3
• InChIKey: NZZHXGMUSXDXNO-UHFFFAOYSA-N
• XLogP: 21.16
• TPSA: 284.69 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2101.52
LogP ≤ 5	21.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)?

The IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine) (CID 159933860) is N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine).

What is the SMILES notation for N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)?

The canonical SMILES for N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine) is CN1CCC2=C(CN=C2C(=O)N(C)CCOc2ccccc2C(C)(C)C)C1.COC(=O)c1cc(C)nc(N(C)CCOc2ccccc2C(C)(C)C)n1.Cc1cc(C)nc(N(C)CCOc2ccccc2C(C)(C)C)n1.Cc1cc(OCCN(C)C(=O)c2nnc3n2CCCC3)cc(C(F)(F)F)c1.Cc1cc(OCCN(C)c2nc(C)cc(C)n2)cc(C(F)(F)F)c1.Cc1cc(OCCN(C)c2nc(C)cc(C)n2)cc(C(F)(F)F)c1.

What is the InChIKey of N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)?

The InChIKey is NZZHXGMUSXDXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2.C20H27N3O3.C19H27N3O.C18H21F3N4O2.2C17H20F3N3O/c1-22(2,3)18-8-6-7-9-19(18)27-13-12-25(5)21(26)20-17-10-11-24(4)15-16(17)14-23-20;1-14-13-16(18(24)25-6)22-19(21-14)23(5)11-12-26-17-10-8-7-9-15(17)20(2,3)4;1-14-13-15(2)21-18(20-14)22(6)11-12-23-17-10-8-7-9-16(17)19(3,4)5;1-12-9-13(18(19,20)21)11-14(10-12)27-8-7-24(2)17(26)16-23-22-15-5-3-4-6-25(15)16;2*1-11-7-14(17(18,19)20)10-15(8-11)24-6-5-23(4)16-21-12(2)9-13(3)22-16/h6-9H,10-15H2,1-5H3;7-10,13H,11-12H2,1-6H3;7-10,13H,11-12H2,1-6H3;9-11H,3-8H2,1-2H3;2*7-10H,5-6H2,1-4H3.

What are the key properties of N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)?

N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine) has a molecular weight of 2101.52 g/mol, XLogP of 21.16, 31 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine) is sourced from PubChem (CID 159933860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).