4-amino-N-[2-(3-ethynylphenyl)ethyl]-N-methyl-2-pyridin-2-ylthieno[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-amino-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-amino-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;ethoxyethane

C110H124N32O12S5 — CID 158364072

About 4-amino-N-[2-(3-ethynylphenyl)ethyl]-N-methyl-2-pyridin-2-ylthieno[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-amino-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-amino-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;ethoxyethane

4-amino-N-[2-(3-ethynylphenyl)ethyl]-N-methyl-2-pyridin-2-ylthieno[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-amino-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-amino-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;ethoxyethane (PubChem CID 158364072) has the molecular formula C110H124N32O12S5 and a molecular weight of 2246.75 g/mol. Its IUPAC name is 4-amino-N-[2-(3-ethynylphenyl)ethyl]-N-methyl-2-pyridin-2-ylthieno[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-amino-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-amino-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;ethoxyethane.

Molecular Properties

• Compound Name: 4-amino-N-[2-(3-ethynylphenyl)ethyl]-N-methyl-2-pyridin-2-ylthieno[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-amino-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-amino-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;ethoxyethane
• PubChem CID: 158364072
• Molecular Formula: C110H124N32O12S5
• Molecular Weight: 2246.75 g/mol
• Exact Mass: 2244.87
• IUPAC Name: 4-amino-N-[2-(3-ethynylphenyl)ethyl]-N-methyl-2-pyridin-2-ylthieno[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-amino-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-amino-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;ethoxyethane
• SMILES: C#Cc1cccc(CCN(C)C(=O)c2csc3nc(-c4ccccn4)nc(N)c23)c1.CCOCC.CCOCC.CCOCC.COCCCCNC(=O)c1csc2nc(-c3ccccn3)nc(N(CCOC)CCOC)c12.Cc1cnc(CNC(=O)c2csc3nc(-c4ccccn4)nc(N)c23)[nH]c1=O.Nc1nc(-c2ccccn2)nc2scc(C(=O)NCCc3ccncn3)c12.Nc1nc(-c2ccccn2)nc2scc(C(=O)NCCc3cn[nH]n3)c12
• InChI: InChI=1S/C23H31N5O4S.C23H19N5OS.C18H15N7O2S.C18H15N7OS.C16H14N8OS.3C4H10O/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;1-3-15-7-6-8-16(13-15)10-12-28(2)23(29)17-14-30-22-19(17)20(24)26-21(27-22)18-9-4-5-11-25-18;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;19-15-14-12(17(26)22-8-5-11-4-7-20-10-23-11)9-27-18(14)25-16(24-15)13-3-1-2-6-21-13;17-13-12-10(15(25)19-6-4-9-7-20-24-23-9)8-26-16(12)22-14(21-13)11-3-1-2-5-18-11;3*1-3-5-4-2/h4-5,8-9,16H,6-7,10-15H2,1-3H3,(H,25,29);1,4-9,11,13-14H,10,12H2,2H3,(H2,24,26,27);2-6,8H,7H2,1H3,(H,22,27)(H2,19,24,25)(H,21,23,26);1-4,6-7,9-10H,5,8H2,(H,22,26)(H2,19,24,25);1-3,5,7-8H,4,6H2,(H,19,25)(H2,17,21,22)(H,20,23,24);3*3-4H2,1-2H3
• InChIKey: GTUUQNKNTOIBOW-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 605.86 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 39
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2246.75
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

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-amino-N-[2-(3-ethynylphenyl)ethyl]-N-methyl-2-pyridin-2-ylthieno[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-amino-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-amino-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;ethoxyethane?

The IUPAC name of 4-amino-N-[2-(3-ethynylphenyl)ethyl]-N-methyl-2-pyridin-2-ylthieno[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-amino-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-amino-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;ethoxyethane (CID 158364072) is 4-amino-N-[2-(3-ethynylphenyl)ethyl]-N-methyl-2-pyridin-2-ylthieno[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-amino-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-amino-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;ethoxyethane.

What is the SMILES notation for 4-amino-N-[2-(3-ethynylphenyl)ethyl]-N-methyl-2-pyridin-2-ylthieno[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-amino-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-amino-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;ethoxyethane?

The canonical SMILES for 4-amino-N-[2-(3-ethynylphenyl)ethyl]-N-methyl-2-pyridin-2-ylthieno[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-amino-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-amino-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;ethoxyethane is C#Cc1cccc(CCN(C)C(=O)c2csc3nc(-c4ccccn4)nc(N)c23)c1.CCOCC.CCOCC.CCOCC.COCCCCNC(=O)c1csc2nc(-c3ccccn3)nc(N(CCOC)CCOC)c12.Cc1cnc(CNC(=O)c2csc3nc(-c4ccccn4)nc(N)c23)[nH]c1=O.Nc1nc(-c2ccccn2)nc2scc(C(=O)NCCc3ccncn3)c12.Nc1nc(-c2ccccn2)nc2scc(C(=O)NCCc3cn[nH]n3)c12.

What is the InChIKey of 4-amino-N-[2-(3-ethynylphenyl)ethyl]-N-methyl-2-pyridin-2-ylthieno[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-amino-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-amino-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;ethoxyethane?

The InChIKey is GTUUQNKNTOIBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4S.C23H19N5OS.C18H15N7O2S.C18H15N7OS.C16H14N8OS.3C4H10O/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;1-3-15-7-6-8-16(13-15)10-12-28(2)23(29)17-14-30-22-19(17)20(24)26-21(27-22)18-9-4-5-11-25-18;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;19-15-14-12(17(26)22-8-5-11-4-7-20-10-23-11)9-27-18(14)25-16(24-15)13-3-1-2-6-21-13;17-13-12-10(15(25)19-6-4-9-7-20-24-23-9)8-26-16(12)22-14(21-13)11-3-1-2-5-18-11;3*1-3-5-4-2/h4-5,8-9,16H,6-7,10-15H2,1-3H3,(H,25,29);1,4-9,11,13-14H,10,12H2,2H3,(H2,24,26,27);2-6,8H,7H2,1H3,(H,22,27)(H2,19,24,25)(H,21,23,26);1-4,6-7,9-10H,5,8H2,(H,22,26)(H2,19,24,25);1-3,5,7-8H,4,6H2,(H,19,25)(H2,17,21,22)(H,20,23,24);3*3-4H2,1-2H3.

What are the key properties of 4-amino-N-[2-(3-ethynylphenyl)ethyl]-N-methyl-2-pyridin-2-ylthieno[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-amino-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-amino-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;ethoxyethane?

4-amino-N-[2-(3-ethynylphenyl)ethyl]-N-methyl-2-pyridin-2-ylthieno[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-amino-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-amino-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;ethoxyethane has a molecular weight of 2246.75 g/mol, XLogP of 14.95, 39 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[2-(3-ethynylphenyl)ethyl]-N-methyl-2-pyridin-2-ylthieno[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-amino-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-amino-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;ethoxyethane is sourced from PubChem (CID 158364072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).