4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-triazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide

C115H125N29O13S5 — CID 161238061

About 4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-triazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide

4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-triazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 161238061) has the molecular formula C115H125N29O13S5 and a molecular weight of 2281.79 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-triazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-triazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 161238061
• Molecular Formula: C115H125N29O13S5
• Molecular Weight: 2281.79 g/mol
• Exact Mass: 2279.86
• IUPAC Name: 4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-triazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide
• SMILES: C#Cc1cccc(CCN(C)C(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)c1.COCCCCN(C)C(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.COCCCCNC(=O)c1csc2nc(-c3ccccn3)nc(N(CCOC)CCOC)c12.O=C(NCCc1ccncc1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.O=C(NCCc1cn[nH]n1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
• InChI: InChI=1S/C27H25N5O2S.C23H22N6O2S.C23H31N5O4S.C22H27N5O3S.C20H20N8O2S/c1-3-19-7-6-8-20(17-19)10-12-31(2)27(33)21-18-35-26-23(21)25(32-13-15-34-16-14-32)29-24(30-26)22-9-4-5-11-28-22;30-22(26-10-6-16-4-8-24-9-5-16)17-15-32-23-19(17)21(29-11-13-31-14-12-29)27-20(28-23)18-3-1-2-7-25-18;1-30-13-7-6-10-25-22(29)17-16-33-23-19(17)21(28(11-14-31-2)12-15-32-3)26-20(27-23)18-8-4-5-9-24-18;1-26(9-5-6-12-29-2)22(28)16-15-31-21-18(16)20(27-10-13-30-14-11-27)24-19(25-21)17-7-3-4-8-23-17;29-19(22-6-4-13-11-23-27-26-13)14-12-31-20-16(14)18(28-7-9-30-10-8-28)24-17(25-20)15-3-1-2-5-21-15/h1,4-9,11,17-18H,10,12-16H2,2H3;1-5,7-9,15H,6,10-14H2,(H,26,30);4-5,8-9,16H,6-7,10-15H2,1-3H3,(H,25,29);3-4,7-8,15H,5-6,9-14H2,1-2H3;1-3,5,11-12H,4,6-10H2,(H,22,29)(H,23,26,27)
• InChIKey: UZQCLBDBFKXBBM-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 465.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 41
• Rotatable Bonds: 40
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2281.79
LogP ≤ 5	14.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-triazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of 4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-triazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide (CID 161238061) is 4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-triazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for 4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-triazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for 4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-triazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide is C#Cc1cccc(CCN(C)C(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)c1.COCCCCN(C)C(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.COCCCCNC(=O)c1csc2nc(-c3ccccn3)nc(N(CCOC)CCOC)c12.O=C(NCCc1ccncc1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.O=C(NCCc1cn[nH]n1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.

What is the InChIKey of 4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-triazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is UZQCLBDBFKXBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S.C23H22N6O2S.C23H31N5O4S.C22H27N5O3S.C20H20N8O2S/c1-3-19-7-6-8-20(17-19)10-12-31(2)27(33)21-18-35-26-23(21)25(32-13-15-34-16-14-32)29-24(30-26)22-9-4-5-11-28-22;30-22(26-10-6-16-4-8-24-9-5-16)17-15-32-23-19(17)21(29-11-13-31-14-12-29)27-20(28-23)18-3-1-2-7-25-18;1-30-13-7-6-10-25-22(29)17-16-33-23-19(17)21(28(11-14-31-2)12-15-32-3)26-20(27-23)18-8-4-5-9-24-18;1-26(9-5-6-12-29-2)22(28)16-15-31-21-18(16)20(27-10-13-30-14-11-27)24-19(25-21)17-7-3-4-8-23-17;29-19(22-6-4-13-11-23-27-26-13)14-12-31-20-16(14)18(28-7-9-30-10-8-28)24-17(25-20)15-3-1-2-5-21-15/h1,4-9,11,17-18H,10,12-16H2,2H3;1-5,7-9,15H,6,10-14H2,(H,26,30);4-5,8-9,16H,6-7,10-15H2,1-3H3,(H,25,29);3-4,7-8,15H,5-6,9-14H2,1-2H3;1-3,5,11-12H,4,6-10H2,(H,22,29)(H,23,26,27).

What are the key properties of 4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-triazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?

4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-triazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 2281.79 g/mol, XLogP of 14.62, 40 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(3-ethynylphenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-(4-methoxybutyl)-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-triazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 161238061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).