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

C95H73BrClN25O10S6 — CID 159354440

About 7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-methyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(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-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-methyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(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 159354440) has the molecular formula C95H73BrClN25O10S6 and a molecular weight of 2032.55 g/mol. Its IUPAC name is 7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-methyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(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-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-methyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(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: 159354440
• Molecular Formula: C95H73BrClN25O10S6
• Molecular Weight: 2032.55 g/mol
• Exact Mass: 2029.32
• IUPAC Name: 7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-methyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(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.Cc1cnc(CNC(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1-c1ccccc1Cl.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1Br.O=c1[nH]c(-c2ccccn2)nc2c(C3CC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(CC3CNC3)csc12
• InChI: InChI=1S/C18H12ClN3OS.2C18H14N6O3S.C15H14N4OS.C14H11N3OS.C12H8BrN3OS/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;2*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;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;1-6-8(13)9-10(18-6)12(17)16-11(15-9)7-4-2-3-5-14-7/h2-9H,1H3,(H,21,22,23);2*2-6,8H,7H2,1H3,(H,21,26)(H,20,22,25)(H,23,24,27);1-4,8-9,16H,5-7H2,(H,18,19,20);1-3,6-8H,4-5H2,(H,16,17,18);2-5H,1H3,(H,15,16,17)
• InChIKey: LHTBLVQSUCXBOA-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 513.57 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2032.55
LogP ≤ 5	15.26
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-methyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(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-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-methyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(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 159354440) is 7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-methyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(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-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-methyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(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-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-methyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(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.Cc1cnc(CNC(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1-c1ccccc1Cl.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1Br.O=c1[nH]c(-c2ccccn2)nc2c(C3CC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(CC3CNC3)csc12.

What is the InChIKey of 7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-methyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(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 LHTBLVQSUCXBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3OS.2C18H14N6O3S.C15H14N4OS.C14H11N3OS.C12H8BrN3OS/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;2*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;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;1-6-8(13)9-10(18-6)12(17)16-11(15-9)7-4-2-3-5-14-7/h2-9H,1H3,(H,21,22,23);2*2-6,8H,7H2,1H3,(H,21,26)(H,20,22,25)(H,23,24,27);1-4,8-9,16H,5-7H2,(H,18,19,20);1-3,6-8H,4-5H2,(H,16,17,18);2-5H,1H3,(H,15,16,17).

What are the key properties of 7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-methyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(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-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-methyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(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 2032.55 g/mol, XLogP of 15.26, 16 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(azetidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-methyl-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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(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 159354440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).