7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;1-[4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol

C89H92ClFN22O6S4 — CID 158043539

About 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;1-[4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol

7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;1-[4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol (PubChem CID 158043539) has the molecular formula C89H92ClFN22O6S4 and a molecular weight of 1748.58 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;1-[4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol.

Molecular Properties

• Compound Name: 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;1-[4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol
• PubChem CID: 158043539
• Molecular Formula: C89H92ClFN22O6S4
• Molecular Weight: 1748.58 g/mol
• Exact Mass: 1746.61
• IUPAC Name: 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;1-[4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol
• SMILES: COc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCN(CCO)CC4)c3)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3cnn(C4CCCCC4)c3)nc12.Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1Cl.Cc1sc2cnc(Nc3cnn(C4CCN(C(=O)CO)CC4)c3)nc2c1-c1cccc2c1OCC2
• InChI: InChI=1S/C25H26N6O3S.C24H27FN6O2S.C23H25N5OS.C17H14ClN5S/c1-15-22(19-4-2-3-16-7-10-34-24(16)19)23-20(35-15)12-26-25(29-23)28-17-11-27-31(13-17)18-5-8-30(9-6-18)21(33)14-32;1-15-22(19-4-3-16(25)11-20(19)33-2)23-21(34-15)13-26-24(29-23)28-17-12-27-31(14-17)18-5-7-30(8-6-18)9-10-32;1-15-21(18-10-6-7-11-19(18)29-2)22-20(30-15)13-24-23(27-22)26-16-12-25-28(14-16)17-8-4-3-5-9-17;1-10-15(12-5-3-4-6-13(12)18)16-14(24-10)8-19-17(22-16)21-11-7-20-23(2)9-11/h2-4,11-13,18,32H,5-10,14H2,1H3,(H,26,28,29);3-4,11-14,18,32H,5-10H2,1-2H3,(H,26,28,29);6-7,10-14,17H,3-5,8-9H2,1-2H3,(H,24,26,27);3-9H,1-2H3,(H,19,21,22)
• InChIKey: FIQHWDFDYXOEND-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 314.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1748.58
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;1-[4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol?

The IUPAC name of 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;1-[4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol (CID 158043539) is 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;1-[4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol.

What is the SMILES notation for 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;1-[4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol?

The canonical SMILES for 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;1-[4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol is COc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCN(CCO)CC4)c3)nc12.COc1ccccc1-c1c(C)sc2cnc(Nc3cnn(C4CCCCC4)c3)nc12.Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1Cl.Cc1sc2cnc(Nc3cnn(C4CCN(C(=O)CO)CC4)c3)nc2c1-c1cccc2c1OCC2.

What is the InChIKey of 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;1-[4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol?

The InChIKey is FIQHWDFDYXOEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S.C24H27FN6O2S.C23H25N5OS.C17H14ClN5S/c1-15-22(19-4-2-3-16-7-10-34-24(16)19)23-20(35-15)12-26-25(29-23)28-17-11-27-31(13-17)18-5-8-30(9-6-18)21(33)14-32;1-15-22(19-4-3-16(25)11-20(19)33-2)23-21(34-15)13-26-24(29-23)28-17-12-27-31(14-17)18-5-7-30(8-6-18)9-10-32;1-15-21(18-10-6-7-11-19(18)29-2)22-20(30-15)13-24-23(27-22)26-16-12-25-28(14-16)17-8-4-3-5-9-17;1-10-15(12-5-3-4-6-13(12)18)16-14(24-10)8-19-17(22-16)21-11-7-20-23(2)9-11/h2-4,11-13,18,32H,5-10,14H2,1H3,(H,26,28,29);3-4,11-14,18,32H,5-10H2,1-2H3,(H,26,28,29);6-7,10-14,17H,3-5,8-9H2,1-2H3,(H,24,26,27);3-9H,1-2H3,(H,19,21,22).

What are the key properties of 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;1-[4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol?

7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;1-[4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol has a molecular weight of 1748.58 g/mol, XLogP of 19.00, 20 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;N-(1-cyclohexylpyrazol-4-yl)-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;1-[4-[4-[[7-(2,3-dihydro-1-benzofuran-7-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 158043539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).