1-cyclopropyl-3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-one;N,N-diethyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methanol;2-[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone

C121H119N25O6S5 — CID 159066905

About 1-cyclopropyl-3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-one;N,N-diethyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methanol;2-[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone

1-cyclopropyl-3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-one;N,N-diethyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methanol;2-[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 159066905) has the molecular formula C121H119N25O6S5 and a molecular weight of 2179.79 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-one;N,N-diethyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methanol;2-[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-one;N,N-diethyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methanol;2-[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
• PubChem CID: 159066905
• Molecular Formula: C121H119N25O6S5
• Molecular Weight: 2179.79 g/mol
• Exact Mass: 2177.84
• IUPAC Name: 1-cyclopropyl-3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-one;N,N-diethyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methanol;2-[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
• SMILES: CCN(CC)C(=O)CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.CN(CC(=O)N1CCOCC1)c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.CN(CO)c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.O=C(CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)N1CCCCC1.O=C(CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12)CC1CC1
• InChI: InChI=1S/C28H30N6OS.C27H30N6OS.C24H23N5O2S.C23H20N4OS.C19H16N4OS/c35-24(33-13-7-2-8-14-33)19-32-15-17-34(18-16-32)27-25-22(21-9-3-1-4-10-21)20-36-28(25)31-26(30-27)23-11-5-6-12-29-23;1-3-32(4-2)23(34)18-31-14-16-33(17-15-31)26-24-21(20-10-6-5-7-11-20)19-35-27(24)30-25(29-26)22-12-8-9-13-28-22;1-28(15-20(30)29-11-13-31-14-12-29)23-21-18(17-7-3-2-4-8-17)16-32-24(21)27-22(26-23)19-9-5-6-10-25-19;28-17(12-15-9-10-15)13-25-22-20-18(16-6-2-1-3-7-16)14-29-23(20)27-21(26-22)19-8-4-5-11-24-19;1-23(12-24)18-16-14(13-7-3-2-4-8-13)11-25-19(16)22-17(21-18)15-9-5-6-10-20-15/h1,3-6,9-12,20H,2,7-8,13-19H2;5-13,19H,3-4,14-18H2,1-2H3;2-10,16H,11-15H2,1H3;1-8,11,14-15H,9-10,12-13H2,(H,25,26,27);2-11,24H,12H2,1H3
• InChIKey: JZDZUJBZOHRWNZ-UHFFFAOYSA-N
• XLogP: 21.69
• TPSA: 332.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2179.79
LogP ≤ 5	21.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-one;N,N-diethyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methanol;2-[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone?

The IUPAC name of 1-cyclopropyl-3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-one;N,N-diethyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methanol;2-[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 159066905) is 1-cyclopropyl-3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-one;N,N-diethyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methanol;2-[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone.

What is the SMILES notation for 1-cyclopropyl-3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-one;N,N-diethyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methanol;2-[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone?

The canonical SMILES for 1-cyclopropyl-3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-one;N,N-diethyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methanol;2-[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone is CCN(CC)C(=O)CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1.CN(CC(=O)N1CCOCC1)c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.CN(CO)c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12.O=C(CN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1)N1CCCCC1.O=C(CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12)CC1CC1.

What is the InChIKey of 1-cyclopropyl-3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-one;N,N-diethyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methanol;2-[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone?

The InChIKey is JZDZUJBZOHRWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6OS.C27H30N6OS.C24H23N5O2S.C23H20N4OS.C19H16N4OS/c35-24(33-13-7-2-8-14-33)19-32-15-17-34(18-16-32)27-25-22(21-9-3-1-4-10-21)20-36-28(25)31-26(30-27)23-11-5-6-12-29-23;1-3-32(4-2)23(34)18-31-14-16-33(17-15-31)26-24-21(20-10-6-5-7-11-20)19-35-27(24)30-25(29-26)22-12-8-9-13-28-22;1-28(15-20(30)29-11-13-31-14-12-29)23-21-18(17-7-3-2-4-8-17)16-32-24(21)27-22(26-23)19-9-5-6-10-25-19;28-17(12-15-9-10-15)13-25-22-20-18(16-6-2-1-3-7-16)14-29-23(20)27-21(26-22)19-8-4-5-11-24-19;1-23(12-24)18-16-14(13-7-3-2-4-8-13)11-25-19(16)22-17(21-18)15-9-5-6-10-20-15/h1,3-6,9-12,20H,2,7-8,13-19H2;5-13,19H,3-4,14-18H2,1-2H3;2-10,16H,11-15H2,1H3;1-8,11,14-15H,9-10,12-13H2,(H,25,26,27);2-11,24H,12H2,1H3.

What are the key properties of 1-cyclopropyl-3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-one;N,N-diethyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methanol;2-[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone?

1-cyclopropyl-3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-one;N,N-diethyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methanol;2-[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 2179.79 g/mol, XLogP of 21.69, 28 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-one;N,N-diethyl-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide;[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methanol;2-[methyl-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-ylethanone;2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 159066905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).