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

C117H100BrN31O12S7 — CID 158074734

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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;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-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-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-bromo-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;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;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-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 158074734) has the molecular formula C117H100BrN31O12S7 and a molecular weight of 2436.66 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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;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-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one.

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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;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-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 158074734
• Molecular Formula: C117H100BrN31O12S7
• Molecular Weight: 2436.66 g/mol
• Exact Mass: 2433.54
• 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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;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-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: Cc1ccc(C2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)cc1.Cc1cnc(CNC(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1Br.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1C(=O)NCc1ncc(C)c(=O)[nH]1.O=c1[nH]c(-c2ccccn2)nc2c(C3CC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(CC3CCNC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(CC3CNC3)csc12
• InChI: InChI=1S/C23H21N5O2S.C19H16N6O3S.C18H14N6O3S.C16H16N4OS.C15H14N4OS.C14H11N3OS.C12H8BrN3OS/c1-14-5-7-15(8-6-14)18-12-28(11-10-25-18)23(30)16-13-31-20-19(16)26-21(27-22(20)29)17-4-2-3-9-24-17;1-9-7-21-12(23-17(9)26)8-22-18(27)13-10(2)29-15-14(13)24-16(25-19(15)28)11-5-3-4-6-20-11;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;21-16-14-13(11(9-22-14)7-10-4-6-17-8-10)19-15(20-16)12-3-1-2-5-18-12;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;1-6-8(13)9-10(18-6)12(17)16-11(15-9)7-4-2-3-5-14-7/h2-9,13,18,25H,10-12H2,1H3,(H,26,27,29);3-7H,8H2,1-2H3,(H,22,27)(H,21,23,26)(H,24,25,28);2-6,8H,7H2,1H3,(H,21,26)(H,20,22,25)(H,23,24,27);1-3,5,9-10,17H,4,6-8H2,(H,19,20,21);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: FMFRCPHTZIQWLQ-UHFFFAOYSA-N
• XLogP: 16.24
• TPSA: 616.58 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 38
• Rotatable Bonds: 20
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2436.66
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	38

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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;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-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?

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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;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-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 158074734) 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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;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-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one.

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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;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-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?

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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;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-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one is Cc1ccc(C2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)cc1.Cc1cnc(CNC(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[nH]c1=O.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1Br.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1C(=O)NCc1ncc(C)c(=O)[nH]1.O=c1[nH]c(-c2ccccn2)nc2c(C3CC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(CC3CCNC3)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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;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-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is FMFRCPHTZIQWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S.C19H16N6O3S.C18H14N6O3S.C16H16N4OS.C15H14N4OS.C14H11N3OS.C12H8BrN3OS/c1-14-5-7-15(8-6-14)18-12-28(11-10-25-18)23(30)16-13-31-20-19(16)26-21(27-22(20)29)17-4-2-3-9-24-17;1-9-7-21-12(23-17(9)26)8-22-18(27)13-10(2)29-15-14(13)24-16(25-19(15)28)11-5-3-4-6-20-11;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;21-16-14-13(11(9-22-14)7-10-4-6-17-8-10)19-15(20-16)12-3-1-2-5-18-12;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;1-6-8(13)9-10(18-6)12(17)16-11(15-9)7-4-2-3-5-14-7/h2-9,13,18,25H,10-12H2,1H3,(H,26,27,29);3-7H,8H2,1-2H3,(H,22,27)(H,21,23,26)(H,24,25,28);2-6,8H,7H2,1H3,(H,21,26)(H,20,22,25)(H,23,24,27);1-3,5,9-10,17H,4,6-8H2,(H,19,20,21);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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;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-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-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-bromo-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;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;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-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 2436.66 g/mol, XLogP of 16.24, 20 rotatable bonds, 14 hydrogen bond donors, and 38 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-cyclopropyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;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-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 158074734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).