7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one

C136H123N29O14S6 — CID 159681118

About 7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one

7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 159681118) has the molecular formula C136H123N29O14S6 and a molecular weight of 2580.07 g/mol. Its IUPAC name is 7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 159681118
• Molecular Formula: C136H123N29O14S6
• Molecular Weight: 2580.07 g/mol
• Exact Mass: 2577.81
• IUPAC Name: 7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: CC1CN(c2ccccc2)CCN1C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1cccc(C2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)C2)c1.Cc1cccc(C2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)c1.Cc1ccccc1C1CN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CCO1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(Cc2cccc(CO)c2)CC1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCNC(C2=CCN=C2)C1
• InChI: InChI=1S/C24H23N5O3S.2C23H21N5O2S.C23H20N4O3S.C23H20N4O2S.C20H18N6O2S/c30-14-17-5-3-4-16(12-17)13-28-8-10-29(11-9-28)24(32)18-15-33-21-20(18)26-22(27-23(21)31)19-6-1-2-7-25-19;1-14-5-4-6-15(11-14)18-12-28(10-9-25-18)23(30)16-13-31-20-19(16)26-21(27-22(20)29)17-7-2-3-8-24-17;1-15-13-27(16-7-3-2-4-8-16)11-12-28(15)23(30)17-14-31-20-19(17)25-21(26-22(20)29)18-9-5-6-10-24-18;1-14-6-2-3-7-15(14)18-12-27(10-11-30-18)23(29)16-13-31-20-19(16)25-21(26-22(20)28)17-8-4-5-9-24-17;1-14-5-4-6-15(11-14)16-8-10-27(12-16)23(29)17-13-30-20-19(17)25-21(26-22(20)28)18-7-2-3-9-24-18;27-19-17-16(24-18(25-19)14-3-1-2-5-22-14)13(11-29-17)20(28)26-8-7-23-15(10-26)12-4-6-21-9-12/h1-7,12,15,30H,8-11,13-14H2,(H,26,27,31);2-8,11,13,18,25H,9-10,12H2,1H3,(H,26,27,29);2-10,14-15H,11-13H2,1H3,(H,25,26,29);2-9,13,18H,10-12H2,1H3,(H,25,26,28);2-7,9,11,13,16H,8,10,12H2,1H3,(H,25,26,28);1-5,9,11,15,23H,6-8,10H2,(H,24,25,27)
• InChIKey: MVFHVBQHKGFXOP-UHFFFAOYSA-N
• XLogP: 18.06
• TPSA: 546.06 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2580.07
LogP ≤ 5	18.06
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 159681118) is 7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one is CC1CN(c2ccccc2)CCN1C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1cccc(C2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)C2)c1.Cc1cccc(C2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)c1.Cc1ccccc1C1CN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CCO1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(Cc2cccc(CO)c2)CC1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCNC(C2=CCN=C2)C1.

What is the InChIKey of 7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is MVFHVBQHKGFXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S.2C23H21N5O2S.C23H20N4O3S.C23H20N4O2S.C20H18N6O2S/c30-14-17-5-3-4-16(12-17)13-28-8-10-29(11-9-28)24(32)18-15-33-21-20(18)26-22(27-23(21)31)19-6-1-2-7-25-19;1-14-5-4-6-15(11-14)18-12-28(10-9-25-18)23(30)16-13-31-20-19(16)26-21(27-22(20)29)17-7-2-3-8-24-17;1-15-13-27(16-7-3-2-4-8-16)11-12-28(15)23(30)17-14-31-20-19(17)25-21(26-22(20)29)18-9-5-6-10-24-18;1-14-6-2-3-7-15(14)18-12-27(10-11-30-18)23(29)16-13-31-20-19(16)25-21(26-22(20)28)17-8-4-5-9-24-17;1-14-5-4-6-15(11-14)16-8-10-27(12-16)23(29)17-13-30-20-19(17)25-21(26-22(20)28)18-7-2-3-9-24-18;27-19-17-16(24-18(25-19)14-3-1-2-5-22-14)13(11-29-17)20(28)26-8-7-23-15(10-26)12-4-6-21-9-12/h1-7,12,15,30H,8-11,13-14H2,(H,26,27,31);2-8,11,13,18,25H,9-10,12H2,1H3,(H,26,27,29);2-10,14-15H,11-13H2,1H3,(H,25,26,29);2-9,13,18H,10-12H2,1H3,(H,25,26,28);2-7,9,11,13,16H,8,10,12H2,1H3,(H,25,26,28);1-5,9,11,15,23H,6-8,10H2,(H,24,25,27).

What are the key properties of 7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?

7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 2580.07 g/mol, XLogP of 18.06, 20 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(2-methylphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159681118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).