4-amino-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-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

C83H87N27O10S4 — CID 158859251

About 4-amino-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-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-amino-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-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 158859251) has the molecular formula C83H87N27O10S4 and a molecular weight of 1751.06 g/mol. Its IUPAC name is 4-amino-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-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-amino-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-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: 158859251
• Molecular Formula: C83H87N27O10S4
• Molecular Weight: 1751.06 g/mol
• Exact Mass: 1749.60
• IUPAC Name: 4-amino-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-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: COCCCCNC(=O)c1csc2nc(-c3ccccn3)nc(N(CCOC)CCOC)c12.Cc1cnc(CNC(=O)c2csc3nc(-c4ccccn4)nc(N)c23)[nH]c1=O.O=C(NCCc1ccncn1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.O=C(NCCc1cn[nH]n1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
• InChI: InChI=1S/C23H31N5O4S.C22H21N7O2S.C20H20N8O2S.C18H15N7O2S/c1-30-13-7-6-10-25-22(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;30-21(25-8-5-15-4-7-23-14-26-15)16-13-32-22-18(16)20(29-9-11-31-12-10-29)27-19(28-22)17-3-1-2-6-24-17;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;1-9-6-21-12(23-16(9)26)7-22-17(27)10-8-28-18-13(10)14(19)24-15(25-18)11-4-2-3-5-20-11/h4-5,8-9,16H,6-7,10-15H2,1-3H3,(H,25,29);1-4,6-7,13-14H,5,8-12H2,(H,25,30);1-3,5,11-12H,4,6-10H2,(H,22,29)(H,23,26,27);2-6,8H,7H2,1H3,(H,22,27)(H2,19,24,25)(H,21,23,26)
• InChIKey: JALIVGBWJDTJMV-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 466.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 30
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1751.06
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-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-amino-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-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 158859251) is 4-amino-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-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-amino-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-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-amino-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-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 COCCCCNC(=O)c1csc2nc(-c3ccccn3)nc(N(CCOC)CCOC)c12.Cc1cnc(CNC(=O)c2csc3nc(-c4ccccn4)nc(N)c23)[nH]c1=O.O=C(NCCc1ccncn1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.O=C(NCCc1cn[nH]n1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.

What is the InChIKey of 4-amino-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-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 JALIVGBWJDTJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4S.C22H21N7O2S.C20H20N8O2S.C18H15N7O2S/c1-30-13-7-6-10-25-22(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;30-21(25-8-5-15-4-7-23-14-26-15)16-13-32-22-18(16)20(29-9-11-31-12-10-29)27-19(28-22)17-3-1-2-6-24-17;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;1-9-6-21-12(23-16(9)26)7-22-17(27)10-8-28-18-13(10)14(19)24-15(25-18)11-4-2-3-5-20-11/h4-5,8-9,16H,6-7,10-15H2,1-3H3,(H,25,29);1-4,6-7,13-14H,5,8-12H2,(H,25,30);1-3,5,11-12H,4,6-10H2,(H,22,29)(H,23,26,27);2-6,8H,7H2,1H3,(H,22,27)(H2,19,24,25)(H,21,23,26).

What are the key properties of 4-amino-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-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-amino-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-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 1751.06 g/mol, XLogP of 8.70, 30 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-[bis(2-methoxyethyl)amino]-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-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 158859251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).