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)piperidine-4-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol

C106H100N22O5S5 — CID 160746627

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)piperidine-4-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;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)piperidine-4-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 160746627) has the molecular formula C106H100N22O5S5 and a molecular weight of 1922.45 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)piperidine-4-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;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)piperidine-4-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
• PubChem CID: 160746627
• Molecular Formula: C106H100N22O5S5
• Molecular Weight: 1922.45 g/mol
• Exact Mass: 1920.69
• 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)piperidine-4-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
• SMILES: CC(=O)N1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.CC(CCCO)Nc1nc(-c2ccccn2)nc2sccc12.Cc1sc2nc(-c3ccccn3)nc(NC(C)CCO)c2c1-c1ccccc1.NC(=O)C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.O=C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1
• InChI: InChI=1S/2C23H21N5OS.C22H18N4OS.C22H22N4OS.C16H18N4OS/c1-16(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;24-20(29)16-9-12-28(13-10-16)22-19-17(15-6-2-1-3-7-15)14-30-23(19)27-21(26-22)18-8-4-5-11-25-18;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/h2-10,15H,11-14H2,1H3;1-8,11,14,16H,9-10,12-13H2,(H2,24,29);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: RWGQUVBQAXAWPM-UHFFFAOYSA-N
• XLogP: 21.04
• TPSA: 348.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1922.45
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	5
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)piperidine-4-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;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)piperidine-4-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol (CID 160746627) 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)piperidine-4-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;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)piperidine-4-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;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)piperidine-4-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol is CC(=O)N1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.CC(CCCO)Nc1nc(-c2ccccn2)nc2sccc12.Cc1sc2nc(-c3ccccn3)nc(NC(C)CCO)c2c1-c1ccccc1.NC(=O)C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.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)piperidine-4-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?

The InChIKey is RWGQUVBQAXAWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H21N5OS.C22H18N4OS.C22H22N4OS.C16H18N4OS/c1-16(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;24-20(29)16-9-12-28(13-10-16)22-19-17(15-6-2-1-3-7-15)14-30-23(19)27-21(26-22)18-8-4-5-11-25-18;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/h2-10,15H,11-14H2,1H3;1-8,11,14,16H,9-10,12-13H2,(H2,24,29);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)piperidine-4-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;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)piperidine-4-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 1922.45 g/mol, XLogP of 21.04, 22 rotatable bonds, 5 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)piperidine-4-carboxamide;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-one;4-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 160746627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).