7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C94H93N19O9S5 — CID 159943187

About 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 159943187) has the molecular formula C94H93N19O9S5 and a molecular weight of 1793.24 g/mol. Its IUPAC name is 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 159943187
• Molecular Formula: C94H93N19O9S5
• Molecular Weight: 1793.24 g/mol
• Exact Mass: 1791.60
• IUPAC Name: 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: CC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cn1.CC(C)Cc1csc2c(=O)[nH]c(-c3ccccn3)nc12.CN(C)CCOc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCOC(CN2CCCCC2)C1.O=c1[nH]c(-c2ccccn2)nc2c(C3CCCC3)csc12
• InChI: InChI=1S/C22H25N5O3S.C21H20N4O2S.C20H18N4O2S.C16H15N3OS.C15H15N3OS/c28-21-19-18(24-20(25-21)17-6-2-3-7-23-17)16(14-31-19)22(29)27-10-11-30-15(13-27)12-26-8-4-1-5-9-26;1-25(2)10-11-27-15-7-5-6-14(12-15)16-13-28-19-18(16)23-20(24-21(19)26)17-8-3-4-9-22-17;1-12(2)10-26-16-7-6-13(9-22-16)14-11-27-18-17(14)23-19(24-20(18)25)15-5-3-4-8-21-15;20-16-14-13(11(9-21-14)10-5-1-2-6-10)18-15(19-16)12-7-3-4-8-17-12;1-9(2)7-10-8-20-13-12(10)17-14(18-15(13)19)11-5-3-4-6-16-11/h2-3,6-7,14-15H,1,4-5,8-13H2,(H,24,25,28);3-9,12-13H,10-11H2,1-2H3,(H,23,24,26);3-9,11-12H,10H2,1-2H3,(H,23,24,25);3-4,7-10H,1-2,5-6H2,(H,18,19,20);3-6,8-9H,7H2,1-2H3,(H,17,18,19)
• InChIKey: OBDQLGVIIXUSNW-UHFFFAOYSA-N
• XLogP: 17.12
• TPSA: 360.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1793.24
LogP ≤ 5	17.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 159943187) is 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cn1.CC(C)Cc1csc2c(=O)[nH]c(-c3ccccn3)nc12.CN(C)CCOc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCOC(CN2CCCCC2)C1.O=c1[nH]c(-c2ccccn2)nc2c(C3CCCC3)csc12.

What is the InChIKey of 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is OBDQLGVIIXUSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S.C21H20N4O2S.C20H18N4O2S.C16H15N3OS.C15H15N3OS/c28-21-19-18(24-20(25-21)17-6-2-3-7-23-17)16(14-31-19)22(29)27-10-11-30-15(13-27)12-26-8-4-1-5-9-26;1-25(2)10-11-27-15-7-5-6-14(12-15)16-13-28-19-18(16)23-20(24-21(19)26)17-8-3-4-9-22-17;1-12(2)10-26-16-7-6-13(9-22-16)14-11-27-18-17(14)23-19(24-20(18)25)15-5-3-4-8-21-15;20-16-14-13(11(9-21-14)10-5-1-2-6-10)18-15(19-16)12-7-3-4-8-17-12;1-9(2)7-10-8-20-13-12(10)17-14(18-15(13)19)11-5-3-4-6-16-11/h2-3,6-7,14-15H,1,4-5,8-13H2,(H,24,25,28);3-9,12-13H,10-11H2,1-2H3,(H,23,24,26);3-9,11-12H,10H2,1-2H3,(H,23,24,25);3-4,7-10H,1-2,5-6H2,(H,18,19,20);3-6,8-9H,7H2,1-2H3,(H,17,18,19).

What are the key properties of 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1793.24 g/mol, XLogP of 17.12, 20 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylpropyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159943187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).