N-[1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-benzyl-1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;N-[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C111H121F16N23S5 — CID 162226120

About N-[1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-benzyl-1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;N-[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

N-[1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-benzyl-1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;N-[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 162226120) has the molecular formula C111H121F16N23S5 and a molecular weight of 2241.65 g/mol. Its IUPAC name is N-[1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-benzyl-1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;N-[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-benzyl-1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;N-[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 162226120
• Molecular Formula: C111H121F16N23S5
• Molecular Weight: 2241.65 g/mol
• Exact Mass: 2239.85
• IUPAC Name: N-[1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-benzyl-1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;N-[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: Cc1ccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)c(C)c1.Cc1ccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)c(F)c1.FC(F)(F)Cc1cc2c(N(NCc3ccccc3)C3CCN(Cc4ccccc4)CC3)ncnc2s1.NCc1ccccc1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1.NN(c1ncnc2sc(CC(F)(F)F)cc12)C1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C27H28F3N5S.C22H25F3N4S.C21H22F4N4S.C21H24F3N5S.C20H22F3N5S/c28-27(29,30)16-23-15-24-25(31-19-32-26(24)36-23)35(33-17-20-7-3-1-4-8-20)22-11-13-34(14-12-22)18-21-9-5-2-6-10-21;1-14-3-4-16(15(2)9-14)12-29-7-5-17(6-8-29)28-20-19-10-18(11-22(23,24)25)30-21(19)27-13-26-20;1-13-2-3-14(18(22)8-13)11-29-6-4-15(5-7-29)28-19-17-9-16(10-21(23,24)25)30-20(17)27-12-26-19;22-21(23,24)10-17-9-18-19(26-13-27-20(18)30-17)28-16-5-7-29(8-6-16)12-15-4-2-1-3-14(15)11-25;21-20(22,23)11-16-10-17-18(25-13-26-19(17)29-16)28(24)15-6-8-27(9-7-15)12-14-4-2-1-3-5-14/h1-10,15,19,22,33H,11-14,16-18H2;3-4,9-10,13,17H,5-8,11-12H2,1-2H3,(H,26,27,28);2-3,8-9,12,15H,4-7,10-11H2,1H3,(H,26,27,28);1-4,9,13,16H,5-8,10-12,25H2,(H,26,27,28);1-5,10,13,15H,6-9,11-12,24H2
• InChIKey: ZUUBXYYNNLKIED-UHFFFAOYSA-N
• XLogP: 25.25
• TPSA: 251.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2241.65
LogP ≤ 5	25.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-benzyl-1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;N-[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-[1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-benzyl-1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;N-[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 162226120) is N-[1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-benzyl-1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;N-[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-[1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-benzyl-1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;N-[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-[1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-benzyl-1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;N-[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)c(C)c1.Cc1ccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)c(F)c1.FC(F)(F)Cc1cc2c(N(NCc3ccccc3)C3CCN(Cc4ccccc4)CC3)ncnc2s1.NCc1ccccc1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1.NN(c1ncnc2sc(CC(F)(F)F)cc12)C1CCN(Cc2ccccc2)CC1.

What is the InChIKey of N-[1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-benzyl-1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;N-[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is ZUUBXYYNNLKIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N5S.C22H25F3N4S.C21H22F4N4S.C21H24F3N5S.C20H22F3N5S/c28-27(29,30)16-23-15-24-25(31-19-32-26(24)36-23)35(33-17-20-7-3-1-4-8-20)22-11-13-34(14-12-22)18-21-9-5-2-6-10-21;1-14-3-4-16(15(2)9-14)12-29-7-5-17(6-8-29)28-20-19-10-18(11-22(23,24)25)30-21(19)27-13-26-20;1-13-2-3-14(18(22)8-13)11-29-6-4-15(5-7-29)28-19-17-9-16(10-21(23,24)25)30-20(17)27-12-26-19;22-21(23,24)10-17-9-18-19(26-13-27-20(18)30-17)28-16-5-7-29(8-6-16)12-15-4-2-1-3-14(15)11-25;21-20(22,23)11-16-10-17-18(25-13-26-19(17)29-16)28(24)15-6-8-27(9-7-15)12-14-4-2-1-3-5-14/h1-10,15,19,22,33H,11-14,16-18H2;3-4,9-10,13,17H,5-8,11-12H2,1-2H3,(H,26,27,28);2-3,8-9,12,15H,4-7,10-11H2,1H3,(H,26,27,28);1-4,9,13,16H,5-8,10-12,25H2,(H,26,27,28);1-5,10,13,15H,6-9,11-12,24H2.

What are the key properties of N-[1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-benzyl-1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;N-[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

N-[1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-benzyl-1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;N-[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2241.65 g/mol, XLogP of 25.25, 29 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[2-(aminomethyl)phenyl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-benzyl-1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;1-(1-benzylpiperidin-4-yl)-1-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine;N-[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 162226120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).