N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone

C118H113N25O5S5 — CID 159336283

About N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone

N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 159336283) has the molecular formula C118H113N25O5S5 and a molecular weight of 2121.71 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone
• PubChem CID: 159336283
• Molecular Formula: C118H113N25O5S5
• Molecular Weight: 2121.71 g/mol
• Exact Mass: 2119.80
• IUPAC Name: N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone
• SMILES: NC(=O)C1CCCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1.O=C(C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)N1CCCCC1.O=C(CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)NC1CC1.OCCCNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.c1ccc(-c2csc3nc(-c4ccccn4)nc(NN4CCOCC4)c23)cc1
• InChI: InChI=1S/C28H29N5OS.C26H26N6OS.C23H21N5OS.C21H19N5OS.C20H18N4OS/c34-28(33-15-7-2-8-16-33)21-12-17-32(18-13-21)26-24-22(20-9-3-1-4-10-20)19-35-27(24)31-25(30-26)23-11-5-6-14-29-23;33-22(28-19-9-10-19)16-31-12-14-32(15-13-31)25-23-20(18-6-2-1-3-7-18)17-34-26(23)30-24(29-25)21-8-4-5-11-27-21;24-20(29)16-9-6-12-28(13-16)22-19-17(15-7-2-1-3-8-15)14-30-23(19)27-21(26-22)18-10-4-5-11-25-18;1-2-6-15(7-3-1)16-14-28-21-18(16)20(25-26-10-12-27-13-11-26)23-19(24-21)17-8-4-5-9-22-17;25-12-6-11-22-19-17-15(14-7-2-1-3-8-14)13-26-20(17)24-18(23-19)16-9-4-5-10-21-16/h1,3-6,9-11,14,19,21H,2,7-8,12-13,15-18H2;1-8,11,17,19H,9-10,12-16H2,(H,28,33);1-5,7-8,10-11,14,16H,6,9,12-13H2,(H2,24,29);1-9,14H,10-13H2,(H,23,24,25);1-5,7-10,13,25H,6,11-12H2,(H,22,23,24)
• InChIKey: LFORBMUBEBCJBZ-UHFFFAOYSA-N
• XLogP: 21.89
• TPSA: 355.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2121.71
LogP ≤ 5	21.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone?

The IUPAC name of N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 159336283) is N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone?

The canonical SMILES for N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone is NC(=O)C1CCCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1.O=C(C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)N1CCCCC1.O=C(CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)NC1CC1.OCCCNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.c1ccc(-c2csc3nc(-c4ccccn4)nc(NN4CCOCC4)c23)cc1.

What is the InChIKey of N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone?

The InChIKey is LFORBMUBEBCJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5OS.C26H26N6OS.C23H21N5OS.C21H19N5OS.C20H18N4OS/c34-28(33-15-7-2-8-16-33)21-12-17-32(18-13-21)26-24-22(20-9-3-1-4-10-20)19-35-27(24)31-25(30-26)23-11-5-6-14-29-23;33-22(28-19-9-10-19)16-31-12-14-32(15-13-31)25-23-20(18-6-2-1-3-7-18)17-34-26(23)30-24(29-25)21-8-4-5-11-27-21;24-20(29)16-9-6-12-28(13-16)22-19-17(15-7-2-1-3-8-15)14-30-23(19)27-21(26-22)18-10-4-5-11-25-18;1-2-6-15(7-3-1)16-14-28-21-18(16)20(25-26-10-12-27-13-11-26)23-19(24-21)17-8-4-5-9-22-17;25-12-6-11-22-19-17-15(14-7-2-1-3-8-14)13-26-20(17)24-18(23-19)16-9-4-5-10-21-16/h1,3-6,9-11,14,19,21H,2,7-8,12-13,15-18H2;1-8,11,17,19H,9-10,12-16H2,(H,28,33);1-5,7-8,10-11,14,16H,6,9,12-13H2,(H2,24,29);1-9,14H,10-13H2,(H,23,24,25);1-5,7-10,13,25H,6,11-12H2,(H,22,23,24).

What are the key properties of N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone?

N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 2121.71 g/mol, XLogP of 21.89, 24 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholin-4-amine;1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide;[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159336283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).