4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-[4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]hexan-1-one;4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

C96H110N26O12S4 — CID 158059906

About 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-[4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]hexan-1-one;4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-[4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]hexan-1-one;4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 158059906) has the molecular formula C96H110N26O12S4 and a molecular weight of 1948.37 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-[4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]hexan-1-one;4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-[4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]hexan-1-one;4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 158059906
• Molecular Formula: C96H110N26O12S4
• Molecular Weight: 1948.37 g/mol
• Exact Mass: 1946.77
• IUPAC Name: 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-[4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]hexan-1-one;4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
• SMILES: CN1CCN(c2nc(-c3ccccn3)nc3scc(C(=O)NCCc4cnc(=O)[nH]c4)c23)CC1.COCCCCCC(=O)c1csc2nc(-c3ccccn3)nc(N3CCN(C)CC3)c12.COCCN(CCOC)c1nc(-c2ccccn2)nc2scc(C(=O)NCCc3ccc(OC)nc3)c12.COCCN(CCOC)c1nc(-c2ccccn2)nc2scc(C(=O)NCCc3cnc(=O)[nH]c3)c12
• InChI: InChI=1S/C26H30N6O4S.C24H27N7O4S.C23H24N8O2S.C23H29N5O2S/c1-34-14-12-32(13-15-35-2)24-22-19(25(33)28-11-9-18-7-8-21(36-3)29-16-18)17-37-26(22)31-23(30-24)20-6-4-5-10-27-20;1-34-11-9-31(10-12-35-2)21-19-17(22(32)26-8-6-16-13-27-24(33)28-14-16)15-36-23(19)30-20(29-21)18-5-3-4-7-25-18;1-30-8-10-31(11-9-30)20-18-16(21(32)25-7-5-15-12-26-23(33)27-13-15)14-34-22(18)29-19(28-20)17-4-2-3-6-24-17;1-27-11-13-28(14-12-27)22-20-17(19(29)9-4-3-7-15-30-2)16-31-23(20)26-21(25-22)18-8-5-6-10-24-18/h4-8,10,16-17H,9,11-15H2,1-3H3,(H,28,33);3-5,7,13-15H,6,8-12H2,1-2H3,(H,26,32)(H,27,28,33);2-4,6,12-14H,5,7-11H2,1H3,(H,25,32)(H,26,27,33);5-6,8,10,16H,3-4,7,9,11-15H2,1-2H3
• InChIKey: FKMYJRNQFQBCQW-UHFFFAOYSA-N
• XLogP: 10.59
• TPSA: 438.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 40
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1948.37
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-[4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]hexan-1-one;4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-[4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]hexan-1-one;4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 158059906) is 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-[4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]hexan-1-one;4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-[4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]hexan-1-one;4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-[4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]hexan-1-one;4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is CN1CCN(c2nc(-c3ccccn3)nc3scc(C(=O)NCCc4cnc(=O)[nH]c4)c23)CC1.COCCCCCC(=O)c1csc2nc(-c3ccccn3)nc(N3CCN(C)CC3)c12.COCCN(CCOC)c1nc(-c2ccccn2)nc2scc(C(=O)NCCc3ccc(OC)nc3)c12.COCCN(CCOC)c1nc(-c2ccccn2)nc2scc(C(=O)NCCc3cnc(=O)[nH]c3)c12.

What is the InChIKey of 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-[4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]hexan-1-one;4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is FKMYJRNQFQBCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4S.C24H27N7O4S.C23H24N8O2S.C23H29N5O2S/c1-34-14-12-32(13-15-35-2)24-22-19(25(33)28-11-9-18-7-8-21(36-3)29-16-18)17-37-26(22)31-23(30-24)20-6-4-5-10-27-20;1-34-11-9-31(10-12-35-2)21-19-17(22(32)26-8-6-16-13-27-24(33)28-14-16)15-36-23(19)30-20(29-21)18-5-3-4-7-25-18;1-30-8-10-31(11-9-30)20-18-16(21(32)25-7-5-15-12-26-23(33)27-13-15)14-34-22(18)29-19(28-20)17-4-2-3-6-24-17;1-27-11-13-28(14-12-27)22-20-17(19(29)9-4-3-7-15-30-2)16-31-23(20)26-21(25-22)18-8-5-6-10-24-18/h4-8,10,16-17H,9,11-15H2,1-3H3,(H,28,33);3-5,7,13-15H,6,8-12H2,1-2H3,(H,26,32)(H,27,28,33);2-4,6,12-14H,5,7-11H2,1H3,(H,25,32)(H,26,27,33);5-6,8,10,16H,3-4,7,9,11-15H2,1-2H3.

What are the key properties of 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-[4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]hexan-1-one;4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?

4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-[4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]hexan-1-one;4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 1948.37 g/mol, XLogP of 10.59, 40 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;6-methoxy-1-[4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl]hexan-1-one;4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 158059906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).