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-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
C97H77ClN24O8S6 — CID 158626364
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC7-(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-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
SMILESCc1cnc(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(CC3CNC3)csc12
InChIInChI=1S/C18H12ClN3OS.C18H14N6O3S.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;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);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)
InChIKeyHYQGCXCTVLEEEV-UHFFFAOYSA-N
MW1934.70 g/mol
LogP17.17
Rot. Bonds15
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-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-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 158626364) has the molecular formula C97H77ClN24O8S6 and a molecular weight of 1934.70 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-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-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 | 158626364 |
| Molecular Formula | C97H77ClN24O8S6 |
| Molecular Weight | 1934.70 g/mol |
| Exact Mass | 1932.44 |
| 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-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(CC3CNC3)csc12 |
| InChI | InChI=1S/C18H12ClN3OS.C18H14N6O3S.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;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);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 | HYQGCXCTVLEEEV-UHFFFAOYSA-N |
| XLogP | 17.17 |
| TPSA | 477.63 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 136 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1934.70 |
| LogP ≤ 5 | 17.17 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 30 |
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-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-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 158626364) 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-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-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-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(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-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 HYQGCXCTVLEEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3OS.C18H14N6O3S.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;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);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-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-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 1934.70 g/mol, XLogP of 17.17, 15 rotatable bonds, 10 hydrogen bond donors, and 30 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-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 158626364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158626364 — identifiers, structure, computed properties (public domain)
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