5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

C116H85ClF2N22O10S8 — CID 157198702

About 5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 157198702) has the molecular formula C116H85ClF2N22O10S8 and a molecular weight of 2277.08 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
• PubChem CID: 157198702
• Molecular Formula: C116H85ClF2N22O10S8
• Molecular Weight: 2277.08 g/mol
• Exact Mass: 2274.42
• IUPAC Name: 5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
• SMILES: CCN(CC)C(=O)c1sc2nc(-c3ccccn3)[nH]c(=O)c2c1C.COc1ccc(-c2csc3nc(-c4ccccn4)[nH]c(=O)c23)cc1.Cc1cc2c(=O)[nH]c(-c3cc(OCC(F)F)ccn3)nc2s1.Cc1sc2nc(-c3ccccn3)[nH]c(=O)c2c1-c1ccccc1.O=c1[nH]c(-c2ccccn2)nc2sc(-c3ccccc3)cc12.O=c1[nH]c(-c2ccccn2)nc2scc(-c3ccccc3Cl)c12.O=c1[nH]c(-c2ccccn2)nc2scc(-c3cccs3)c12
• InChI: InChI=1S/C18H13N3O2S.C18H13N3OS.C17H10ClN3OS.C17H18N4O2S.C17H11N3OS.C15H9N3OS2.C14H11F2N3O2S/c1-23-12-7-5-11(6-8-12)13-10-24-18-15(13)17(22)20-16(21-18)14-4-2-3-9-19-14;1-11-14(12-7-3-2-4-8-12)15-17(22)20-16(21-18(15)23-11)13-9-5-6-10-19-13;18-12-6-2-1-5-10(12)11-9-23-17-14(11)16(22)20-15(21-17)13-7-3-4-8-19-13;1-4-21(5-2)17(23)13-10(3)12-15(22)19-14(20-16(12)24-13)11-8-6-7-9-18-11;21-16-12-10-14(11-6-2-1-3-7-11)22-17(12)20-15(19-16)13-8-4-5-9-18-13;19-14-12-9(11-5-3-7-20-11)8-21-15(12)18-13(17-14)10-4-1-2-6-16-10;1-7-4-9-13(20)18-12(19-14(9)22-7)10-5-8(2-3-17-10)21-6-11(15)16/h2-10H,1H3,(H,20,21,22);2-10H,1H3,(H,20,21,22);1-9H,(H,20,21,22);6-9H,4-5H2,1-3H3,(H,19,20,22);1-10H,(H,19,20,21);1-8H,(H,17,18,19);2-5,11H,6H2,1H3,(H,18,19,20)
• InChIKey: AQNWZRFMXISZSA-UHFFFAOYSA-N
• XLogP: 25.44
• TPSA: 449.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2277.08
LogP ≤ 5	25.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?

The IUPAC name of 5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 157198702) is 5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?

The canonical SMILES for 5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is CCN(CC)C(=O)c1sc2nc(-c3ccccn3)[nH]c(=O)c2c1C.COc1ccc(-c2csc3nc(-c4ccccn4)[nH]c(=O)c23)cc1.Cc1cc2c(=O)[nH]c(-c3cc(OCC(F)F)ccn3)nc2s1.Cc1sc2nc(-c3ccccn3)[nH]c(=O)c2c1-c1ccccc1.O=c1[nH]c(-c2ccccn2)nc2sc(-c3ccccc3)cc12.O=c1[nH]c(-c2ccccn2)nc2scc(-c3ccccc3Cl)c12.O=c1[nH]c(-c2ccccn2)nc2scc(-c3cccs3)c12.

What is the InChIKey of 5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?

The InChIKey is AQNWZRFMXISZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S.C18H13N3OS.C17H10ClN3OS.C17H18N4O2S.C17H11N3OS.C15H9N3OS2.C14H11F2N3O2S/c1-23-12-7-5-11(6-8-12)13-10-24-18-15(13)17(22)20-16(21-18)14-4-2-3-9-19-14;1-11-14(12-7-3-2-4-8-12)15-17(22)20-16(21-18(15)23-11)13-9-5-6-10-19-13;18-12-6-2-1-5-10(12)11-9-23-17-14(11)16(22)20-15(21-17)13-7-3-4-8-19-13;1-4-21(5-2)17(23)13-10(3)12-15(22)19-14(20-16(12)24-13)11-8-6-7-9-18-11;21-16-12-10-14(11-6-2-1-3-7-11)22-17(12)20-15(19-16)13-8-4-5-9-18-13;19-14-12-9(11-5-3-7-20-11)8-21-15(12)18-13(17-14)10-4-1-2-6-16-10;1-7-4-9-13(20)18-12(19-14(9)22-7)10-5-8(2-3-17-10)21-6-11(15)16/h2-10H,1H3,(H,20,21,22);2-10H,1H3,(H,20,21,22);1-9H,(H,20,21,22);6-9H,4-5H2,1-3H3,(H,19,20,22);1-10H,(H,19,20,21);1-8H,(H,17,18,19);2-5,11H,6H2,1H3,(H,18,19,20).

What are the key properties of 5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?

5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 2277.08 g/mol, XLogP of 25.44, 19 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide;2-[4-(2,2-difluoroethoxy)-2-pyridinyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-methyl-5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 157198702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).