5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;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;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

C106H100F3N21O7S5 — CID 159069504

About 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;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;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;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;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 159069504) has the molecular formula C106H100F3N21O7S5 and a molecular weight of 1997.43 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;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;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;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;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
• PubChem CID: 159069504
• Molecular Formula: C106H100F3N21O7S5
• Molecular Weight: 1997.43 g/mol
• Exact Mass: 1995.67
• IUPAC Name: 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;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;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
• SMILES: CNC(=O)CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.COc1ccc(-c2csc3nc(C)nc(N(C)Cc4ccco4)c23)cc1OC.Cc1sc2nc(-c3ccccn3)nc(NCC(=O)N3CCC(O)CC3)c2c1-c1ccccc1.FC(F)(F)c1cccc(N2CCN(c3ncnc4sccc34)CC2)c1.OC1CCC(Nc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1
• InChI: InChI=1S/C25H25N5O2S.C23H22N4OS.C21H21N3O3S.C20H17N5OS.C17H15F3N4S/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;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;1-13-22-20(24(2)11-15-6-5-9-27-15)19-16(12-28-21(19)23-13)14-7-8-17(25-3)18(10-14)26-4;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;18-17(19,20)12-2-1-3-13(10-12)23-5-7-24(8-6-23)15-14-4-9-25-16(14)22-11-21-15/h2-9,12,18,31H,10-11,13-15H2,1H3,(H,27,28,29);1-8,13-14,16-17,28H,9-12H2,(H,25,26,27);5-10,12H,11H2,1-4H3;2-10,12H,11H2,1H3,(H,21,26)(H,23,24,25);1-4,9-11H,5-8H2
• InChIKey: JZLUBKMYMDOYCM-UHFFFAOYSA-N
• XLogP: 21.79
• TPSA: 334.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1997.43
LogP ≤ 5	21.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;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;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?

The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;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;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 159069504) is 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;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;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.

What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;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;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?

The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;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;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is CNC(=O)CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.COc1ccc(-c2csc3nc(C)nc(N(C)Cc4ccco4)c23)cc1OC.Cc1sc2nc(-c3ccccn3)nc(NCC(=O)N3CCC(O)CC3)c2c1-c1ccccc1.FC(F)(F)c1cccc(N2CCN(c3ncnc4sccc34)CC2)c1.OC1CCC(Nc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.

What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;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;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?

The InChIKey is JZLUBKMYMDOYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S.C23H22N4OS.C21H21N3O3S.C20H17N5OS.C17H15F3N4S/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;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;1-13-22-20(24(2)11-15-6-5-9-27-15)19-16(12-28-21(19)23-13)14-7-8-17(25-3)18(10-14)26-4;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;18-17(19,20)12-2-1-3-13(10-12)23-5-7-24(8-6-23)15-14-4-9-25-16(14)22-11-21-15/h2-9,12,18,31H,10-11,13-15H2,1H3,(H,27,28,29);1-8,13-14,16-17,28H,9-12H2,(H,25,26,27);5-10,12H,11H2,1-4H3;2-10,12H,11H2,1H3,(H,21,26)(H,23,24,25);1-4,9-11H,5-8H2.

What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;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;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?

5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;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;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 1997.43 g/mol, XLogP of 21.79, 22 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;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;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 159069504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).