4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol

C109H105F2N23O5S5 — CID 157080330

About 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol

4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 157080330) has the molecular formula C109H105F2N23O5S5 and a molecular weight of 2015.53 g/mol. Its IUPAC name is 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
• PubChem CID: 157080330
• Molecular Formula: C109H105F2N23O5S5
• Molecular Weight: 2015.53 g/mol
• Exact Mass: 2013.72
• IUPAC Name: 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
• SMILES: CC(F)(F)c1cccc(N2CCN(c3ncnc4sccc34)CC2)c1.CNC(=O)CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.Cc1sc2nc(-c3ccccn3)nc(NCC(=O)N3CCC(O)CC3)c2c1-c1ccccc1.OC1CCC(Nc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.c1ccc(-c2csc3nc(-c4ccccn4)nc(NCCN4CCOCC4)c23)cc1
• InChI: InChI=1S/C25H25N5O2S.C23H23N5OS.C23H22N4OS.C20H17N5OS.C18H18F2N4S/c1-16-21(17-7-3-2-4-8-17)22-24(27-15-20(32)30-13-10-18(31)11-14-30)28-23(29-25(22)33-16)19-9-5-6-12-26-19;1-2-6-17(7-3-1)18-16-30-23-20(18)22(25-10-11-28-12-14-29-15-13-28)26-21(27-23)19-8-4-5-9-24-19;28-17-11-9-16(10-12-17)25-22-20-18(15-6-2-1-3-7-15)14-29-23(20)27-21(26-22)19-8-4-5-13-24-19;1-21-16(26)11-23-19-17-14(13-7-3-2-4-8-13)12-27-20(17)25-18(24-19)15-9-5-6-10-22-15;1-18(19,20)13-3-2-4-14(11-13)23-6-8-24(9-7-23)16-15-5-10-25-17(15)22-12-21-16/h2-9,12,18,31H,10-11,13-15H2,1H3,(H,27,28,29);1-9,16H,10-15H2,(H,25,26,27);1-8,13-14,16-17,28H,9-12H2,(H,25,26,27);2-10,12H,11H2,1H3,(H,21,26)(H,23,24,25);2-5,10-12H,6-9H2,1H3
• InChIKey: ADLUXJRPGYFNEC-UHFFFAOYSA-N
• XLogP: 21.13
• TPSA: 337.40 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2015.53
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?

The IUPAC name of 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (CID 157080330) is 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.

What is the SMILES notation for 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?

The canonical SMILES for 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is CC(F)(F)c1cccc(N2CCN(c3ncnc4sccc34)CC2)c1.CNC(=O)CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.Cc1sc2nc(-c3ccccn3)nc(NCC(=O)N3CCC(O)CC3)c2c1-c1ccccc1.OC1CCC(Nc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.c1ccc(-c2csc3nc(-c4ccccn4)nc(NCCN4CCOCC4)c23)cc1.

What is the InChIKey of 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?

The InChIKey is ADLUXJRPGYFNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S.C23H23N5OS.C23H22N4OS.C20H17N5OS.C18H18F2N4S/c1-16-21(17-7-3-2-4-8-17)22-24(27-15-20(32)30-13-10-18(31)11-14-30)28-23(29-25(22)33-16)19-9-5-6-12-26-19;1-2-6-17(7-3-1)18-16-30-23-20(18)22(25-10-11-28-12-14-29-15-13-28)26-21(27-23)19-8-4-5-9-24-19;28-17-11-9-16(10-12-17)25-22-20-18(15-6-2-1-3-7-15)14-29-23(20)27-21(26-22)19-8-4-5-13-24-19;1-21-16(26)11-23-19-17-14(13-7-3-2-4-8-13)12-27-20(17)25-18(24-19)15-9-5-6-10-22-15;1-18(19,20)13-3-2-4-14(11-13)23-6-8-24(9-7-23)16-15-5-10-25-17(15)22-12-21-16/h2-9,12,18,31H,10-11,13-15H2,1H3,(H,27,28,29);1-9,16H,10-15H2,(H,25,26,27);1-8,13-14,16-17,28H,9-12H2,(H,25,26,27);2-10,12H,11H2,1H3,(H,21,26)(H,23,24,25);2-5,10-12H,6-9H2,1H3.

What are the key properties of 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?

4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 2015.53 g/mol, XLogP of 21.13, 23 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 157080330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).