N-[2-(3,4-dihydroxyphenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

C91H88N26O13S4 — CID 161294735

About N-[2-(3,4-dihydroxyphenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

N-[2-(3,4-dihydroxyphenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 161294735) has the molecular formula C91H88N26O13S4 and a molecular weight of 1882.14 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 161294735
• Molecular Formula: C91H88N26O13S4
• Molecular Weight: 1882.14 g/mol
• Exact Mass: 1880.59
• IUPAC Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
• SMILES: COc1nccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)n1.O=C(NCCc1ccc(O)c(O)c1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.O=C(NCCc1ccnc(=O)[nH]1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.O=C(NCCc1cnc(=O)[nH]c1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
• InChI: InChI=1S/C24H23N5O4S.C23H23N7O3S.2C22H21N7O3S/c30-18-5-4-15(13-19(18)31)6-8-26-23(32)16-14-34-24-20(16)22(29-9-11-33-12-10-29)27-21(28-24)17-3-1-2-7-25-17;1-32-23-26-9-6-15(27-23)5-8-25-21(31)16-14-34-22-18(16)20(30-10-12-33-13-11-30)28-19(29-22)17-4-2-3-7-24-17;30-20(24-7-4-14-5-8-25-22(31)26-14)15-13-33-21-17(15)19(29-9-11-32-12-10-29)27-18(28-21)16-3-1-2-6-23-16;30-20(24-6-4-14-11-25-22(31)26-12-14)15-13-33-21-17(15)19(29-7-9-32-10-8-29)27-18(28-21)16-3-1-2-5-23-16/h1-5,7,13-14,30-31H,6,8-12H2,(H,26,32);2-4,6-7,9,14H,5,8,10-13H2,1H3,(H,25,31);1-3,5-6,8,13H,4,7,9-12H2,(H,24,30)(H,25,26,31);1-3,5,11-13H,4,6-10H2,(H,24,30)(H,25,26,31)
• InChIKey: VGVANWFVESBMTG-UHFFFAOYSA-N
• XLogP: 8.63
• TPSA: 487.93 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1882.14
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 161294735) is N-[2-(3,4-dihydroxyphenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is COc1nccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)n1.O=C(NCCc1ccc(O)c(O)c1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.O=C(NCCc1ccnc(=O)[nH]1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.O=C(NCCc1cnc(=O)[nH]c1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.

What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is VGVANWFVESBMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S.C23H23N7O3S.2C22H21N7O3S/c30-18-5-4-15(13-19(18)31)6-8-26-23(32)16-14-34-24-20(16)22(29-9-11-33-12-10-29)27-21(28-24)17-3-1-2-7-25-17;1-32-23-26-9-6-15(27-23)5-8-25-21(31)16-14-34-22-18(16)20(30-10-12-33-13-11-30)28-19(29-22)17-4-2-3-7-24-17;30-20(24-7-4-14-5-8-25-22(31)26-14)15-13-33-21-17(15)19(29-9-11-32-12-10-29)27-18(28-21)16-3-1-2-6-23-16;30-20(24-6-4-14-11-25-22(31)26-12-14)15-13-33-21-17(15)19(29-7-9-32-10-8-29)27-18(28-21)16-3-1-2-5-23-16/h1-5,7,13-14,30-31H,6,8-12H2,(H,26,32);2-4,6-7,9,14H,5,8,10-13H2,1H3,(H,25,31);1-3,5-6,8,13H,4,7,9-12H2,(H,24,30)(H,25,26,31);1-3,5,11-13H,4,6-10H2,(H,24,30)(H,25,26,31).

What are the key properties of N-[2-(3,4-dihydroxyphenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?

N-[2-(3,4-dihydroxyphenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 1882.14 g/mol, XLogP of 8.63, 25 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dihydroxyphenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 161294735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).