7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide

C114H94ClN27O9S7 — CID 158290665

About 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide

7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 158290665) has the molecular formula C114H94ClN27O9S7 and a molecular weight of 2246.11 g/mol. Its IUPAC name is 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
• PubChem CID: 158290665
• Molecular Formula: C114H94ClN27O9S7
• Molecular Weight: 2246.11 g/mol
• Exact Mass: 2243.55
• IUPAC Name: 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
• SMILES: Cc1cnc(CNC(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1-c1ccccc1Cl.Nc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)n1.O=c1[nH]c(-c2ccccn2)nc2c(C3CC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(C3CCCC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(C3CCCCC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(CC3CNC3)csc12
• InChI: InChI=1S/C18H12ClN3OS.C18H14N6O3S.C17H17N3OS.C16H11N5OS.C16H15N3OS.C15H14N4OS.C14H11N3OS/c1-10-14(11-6-2-3-7-12(11)19)15-16(24-10)18(23)22-17(21-15)13-8-4-5-9-20-13;1-9-6-20-12(22-16(9)25)7-21-17(26)10-8-28-14-13(10)23-15(24-18(14)27)11-4-2-3-5-19-11;21-17-15-14(12(10-22-15)11-6-2-1-3-7-11)19-16(20-17)13-8-4-5-9-18-13;17-12-6-3-5-10(19-12)9-8-23-14-13(9)20-15(21-16(14)22)11-4-1-2-7-18-11;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;20-15-13-12(10(8-21-13)5-9-6-16-7-9)18-14(19-15)11-3-1-2-4-17-11;18-14-12-11(9(7-19-12)8-4-5-8)16-13(17-14)10-3-1-2-6-15-10/h2-9H,1H3,(H,21,22,23);2-6,8H,7H2,1H3,(H,21,26)(H,20,22,25)(H,23,24,27);4-5,8-11H,1-3,6-7H2,(H,19,20,21);1-8H,(H2,17,19)(H,20,21,22);3-4,7-10H,1-2,5-6H2,(H,18,19,20);1-4,8-9,16H,5-7H2,(H,18,19,20);1-3,6-8H,4-5H2,(H,16,17,18)
• InChIKey: GLHQSTFCMWDOJE-UHFFFAOYSA-N
• XLogP: 21.27
• TPSA: 536.27 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 17
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2246.11
LogP ≤ 5	21.27
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?

The IUPAC name of 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide (CID 158290665) is 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide.

What is the SMILES notation for 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?

The canonical SMILES for 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide is Cc1cnc(CNC(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1-c1ccccc1Cl.Nc1cccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)n1.O=c1[nH]c(-c2ccccn2)nc2c(C3CC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(C3CCCC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(C3CCCCC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(CC3CNC3)csc12.

What is the InChIKey of 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?

The InChIKey is GLHQSTFCMWDOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3OS.C18H14N6O3S.C17H17N3OS.C16H11N5OS.C16H15N3OS.C15H14N4OS.C14H11N3OS/c1-10-14(11-6-2-3-7-12(11)19)15-16(24-10)18(23)22-17(21-15)13-8-4-5-9-20-13;1-9-6-20-12(22-16(9)25)7-21-17(26)10-8-28-14-13(10)23-15(24-18(14)27)11-4-2-3-5-19-11;21-17-15-14(12(10-22-15)11-6-2-1-3-7-11)19-16(20-17)13-8-4-5-9-18-13;17-12-6-3-5-10(19-12)9-8-23-14-13(9)20-15(21-16(14)22)11-4-1-2-7-18-11;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;20-15-13-12(10(8-21-13)5-9-6-16-7-9)18-14(19-15)11-3-1-2-4-17-11;18-14-12-11(9(7-19-12)8-4-5-8)16-13(17-14)10-3-1-2-6-15-10/h2-9H,1H3,(H,21,22,23);2-6,8H,7H2,1H3,(H,21,26)(H,20,22,25)(H,23,24,27);4-5,8-11H,1-3,6-7H2,(H,19,20,21);1-8H,(H2,17,19)(H,20,21,22);3-4,7-10H,1-2,5-6H2,(H,18,19,20);1-4,8-9,16H,5-7H2,(H,18,19,20);1-3,6-8H,4-5H2,(H,16,17,18).

What are the key properties of 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?

7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 2246.11 g/mol, XLogP of 21.27, 17 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-amino-2-pyridinyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-cyclohexyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 158290665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).