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

C83H79N17O4S4 — CID 157448448

About 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;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-(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 157448448) has the molecular formula C83H79N17O4S4 and a molecular weight of 1506.93 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-(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-(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: 157448448
• Molecular Formula: C83H79N17O4S4
• Molecular Weight: 1506.93 g/mol
• Exact Mass: 1505.54
• IUPAC Name: 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;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(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/C23H21N5OS.C22H18N4OS.C22H22N4OS.C16H18N4OS/c24-20(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/h1-8,11,14,16H,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: BSMVSBZBBAMXNN-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 285.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1506.93
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

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-(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-(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 157448448) is 3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol;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-(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-(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(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-(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 BSMVSBZBBAMXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS.C22H18N4OS.C22H22N4OS.C16H18N4OS/c24-20(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/h1-8,11,14,16H,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-(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-(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 1506.93 g/mol, XLogP of 16.95, 19 rotatable bonds, 5 hydrogen bond donors, and 24 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-(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 157448448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).