N,N-diethyl-3-(trifluoromethyl)aniline;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;thieno[2,3-d]pyrimidin-4-amine

C106H104F3N21O7S5 — CID 159856992

About N,N-diethyl-3-(trifluoromethyl)aniline;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;thieno[2,3-d]pyrimidin-4-amine

N,N-diethyl-3-(trifluoromethyl)aniline;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;thieno[2,3-d]pyrimidin-4-amine (PubChem CID 159856992) has the molecular formula C106H104F3N21O7S5 and a molecular weight of 2001.47 g/mol. Its IUPAC name is N,N-diethyl-3-(trifluoromethyl)aniline;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;thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N,N-diethyl-3-(trifluoromethyl)aniline;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;thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 159856992
• Molecular Formula: C106H104F3N21O7S5
• Molecular Weight: 2001.47 g/mol
• Exact Mass: 1999.70
• IUPAC Name: N,N-diethyl-3-(trifluoromethyl)aniline;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;thieno[2,3-d]pyrimidin-4-amine
• SMILES: CCN(CC)c1cccc(C(F)(F)F)c1.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.Nc1ncnc2sccc12.OC1CCC(Nc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1
• InChI: InChI=1S/C25H25N5O2S.C23H22N4OS.C21H21N3O3S.C20H17N5OS.C11H14F3N.C6H5N3S/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;1-3-15(4-2)10-7-5-6-9(8-10)11(12,13)14;7-5-4-1-2-10-6(4)9-3-8-5/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);5-8H,3-4H2,1-2H3;1-3H,(H2,7,8,9)
• InChIKey: NQQQKTLYSXDTNE-UHFFFAOYSA-N
• XLogP: 22.58
• TPSA: 357.63 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2001.47
LogP ≤ 5	22.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(trifluoromethyl)aniline;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;thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of N,N-diethyl-3-(trifluoromethyl)aniline;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;thieno[2,3-d]pyrimidin-4-amine (CID 159856992) is N,N-diethyl-3-(trifluoromethyl)aniline;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;thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N,N-diethyl-3-(trifluoromethyl)aniline;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;thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N,N-diethyl-3-(trifluoromethyl)aniline;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;thieno[2,3-d]pyrimidin-4-amine is CCN(CC)c1cccc(C(F)(F)F)c1.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.Nc1ncnc2sccc12.OC1CCC(Nc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.

What is the InChIKey of N,N-diethyl-3-(trifluoromethyl)aniline;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;thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is NQQQKTLYSXDTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S.C23H22N4OS.C21H21N3O3S.C20H17N5OS.C11H14F3N.C6H5N3S/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;1-3-15(4-2)10-7-5-6-9(8-10)11(12,13)14;7-5-4-1-2-10-6(4)9-3-8-5/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);5-8H,3-4H2,1-2H3;1-3H,(H2,7,8,9).

What are the key properties of N,N-diethyl-3-(trifluoromethyl)aniline;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;thieno[2,3-d]pyrimidin-4-amine?

N,N-diethyl-3-(trifluoromethyl)aniline;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;thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2001.47 g/mol, XLogP of 22.58, 23 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-3-(trifluoromethyl)aniline;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;thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159856992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).