3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;1-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol

C107H101N21O5S5 — CID 162061253

About 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;1-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol

3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;1-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 162061253) has the molecular formula C107H101N21O5S5 and a molecular weight of 1921.46 g/mol. Its IUPAC name is 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;1-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

• Compound Name: 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;1-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
• PubChem CID: 162061253
• Molecular Formula: C107H101N21O5S5
• Molecular Weight: 1921.46 g/mol
• Exact Mass: 1919.69
• IUPAC Name: 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;1-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
• SMILES: CC(=O)C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.CC(=O)N1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.CC(CCCO)Nc1nc(-c2ccccn2)nc2sccc12.Cc1sc2nc(-c3ccccn3)nc(NC(C)CCO)c2c1-c1ccccc1.O=C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1
• InChI: InChI=1S/C24H22N4OS.C23H21N5OS.C22H18N4OS.C22H22N4OS.C16H18N4OS/c1-16(29)17-10-13-28(14-11-17)23-21-19(18-7-3-2-4-8-18)15-30-24(21)27-22(26-23)20-9-5-6-12-25-20;1-16(29)27-11-13-28(14-12-27)22-20-18(17-7-3-2-4-8-17)15-30-23(20)26-21(25-22)19-9-5-6-10-24-19;27-16-9-12-26(13-10-16)21-19-17(15-6-2-1-3-7-15)14-28-22(19)25-20(24-21)18-8-4-5-11-23-18;1-14(11-13-27)24-21-19-18(16-8-4-3-5-9-16)15(2)28-22(19)26-20(25-21)17-10-6-7-12-23-17;1-11(5-4-9-21)18-14-12-7-10-22-16(12)20-15(19-14)13-6-2-3-8-17-13/h2-9,12,15,17H,10-11,13-14H2,1H3;2-10,15H,11-14H2,1H3;1-8,11,14H,9-10,12-13H2;3-10,12,14,27H,11,13H2,1-2H3,(H,24,25,26);2-3,6-8,10-11,21H,4-5,9H2,1H3,(H,18,19,20)
• InChIKey: YZWJERBKVTVFTI-UHFFFAOYSA-N
• XLogP: 22.14
• TPSA: 322.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1921.46
LogP ≤ 5	22.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;1-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?

The IUPAC name of 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;1-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol (CID 162061253) is 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;1-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol.

What is the SMILES notation for 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;1-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?

The canonical SMILES for 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;1-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol is CC(=O)C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.CC(=O)N1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.CC(CCCO)Nc1nc(-c2ccccn2)nc2sccc12.Cc1sc2nc(-c3ccccn3)nc(NC(C)CCO)c2c1-c1ccccc1.O=C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.

What is the InChIKey of 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;1-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?

The InChIKey is YZWJERBKVTVFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS.C23H21N5OS.C22H18N4OS.C22H22N4OS.C16H18N4OS/c1-16(29)17-10-13-28(14-11-17)23-21-19(18-7-3-2-4-8-18)15-30-24(21)27-22(26-23)20-9-5-6-12-25-20;1-16(29)27-11-13-28(14-12-27)22-20-18(17-7-3-2-4-8-17)15-30-23(20)26-21(25-22)19-9-5-6-10-24-19;27-16-9-12-26(13-10-16)21-19-17(15-6-2-1-3-7-15)14-28-22(19)25-20(24-21)18-8-4-5-11-23-18;1-14(11-13-27)24-21-19-18(16-8-4-3-5-9-16)15(2)28-22(19)26-20(25-21)17-10-6-7-12-23-17;1-11(5-4-9-21)18-14-12-7-10-22-16(12)20-15(19-14)13-6-2-3-8-17-13/h2-9,12,15,17H,10-11,13-14H2,1H3;2-10,15H,11-14H2,1H3;1-8,11,14H,9-10,12-13H2;3-10,12,14,27H,11,13H2,1-2H3,(H,24,25,26);2-3,6-8,10-11,21H,4-5,9H2,1H3,(H,18,19,20).

What are the key properties of 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;1-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?

3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;1-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 1921.46 g/mol, XLogP of 22.14, 22 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;1-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;1-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 162061253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).