N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
C90H88N28O10S4 — CID 158887180
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ncc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cn1.COc1nccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)n1.O=C(NCCc1ccncn1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.O=C(NCCc1cncnc1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/2C23H23N7O3S.2C22H21N7O2S/c1-32-23-26-9-6-15(27-23)5-8-25-21(31)16-14-34-22-18(16)20(30-10-12-33-13-11-30)28-19(29-22)17-4-2-3-7-24-17;1-32-23-26-12-15(13-27-23)5-7-25-21(31)16-14-34-22-18(16)20(30-8-10-33-11-9-30)28-19(29-22)17-4-2-3-6-24-17;30-21(25-8-5-15-4-7-23-14-26-15)16-13-32-22-18(16)20(29-9-11-31-12-10-29)27-19(28-22)17-3-1-2-6-24-17;30-21(26-6-4-15-11-23-14-24-12-15)16-13-32-22-18(16)20(29-7-9-31-10-8-29)27-19(28-22)17-3-1-2-5-25-17/h2-4,6-7,9,14H,5,8,10-13H2,1H3,(H,25,31);2-4,6,12-14H,5,7-11H2,1H3,(H,25,31);1-4,6-7,13-14H,5,8-12H2,(H,25,30);1-3,5,11-14H,4,6-10H2,(H,26,30)
InChIKeyJDTWDXTXMINHGJ-UHFFFAOYSA-N
MW1850.15 g/mol
LogP9.43
Rot. Bonds26
About N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 158887180) has the molecular formula C90H88N28O10S4 and a molecular weight of 1850.15 g/mol. Its IUPAC name is N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide.
Molecular Properties
| Compound Name | N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide |
|---|---|
| PubChem CID | 158887180 |
| Molecular Formula | C90H88N28O10S4 |
| Molecular Weight | 1850.15 g/mol |
| Exact Mass | 1848.61 |
| IUPAC Name | N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide |
| SMILES | COc1ncc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cn1.COc1nccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)n1.O=C(NCCc1ccncn1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.O=C(NCCc1cncnc1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12 |
| InChI | InChI=1S/2C23H23N7O3S.2C22H21N7O2S/c1-32-23-26-9-6-15(27-23)5-8-25-21(31)16-14-34-22-18(16)20(30-10-12-33-13-11-30)28-19(29-22)17-4-2-3-7-24-17;1-32-23-26-12-15(13-27-23)5-7-25-21(31)16-14-34-22-18(16)20(30-8-10-33-11-9-30)28-19(29-22)17-4-2-3-6-24-17;30-21(25-8-5-15-4-7-23-14-26-15)16-13-32-22-18(16)20(29-9-11-31-12-10-29)27-19(28-22)17-3-1-2-6-24-17;30-21(26-6-4-15-11-23-14-24-12-15)16-13-32-22-18(16)20(29-7-9-31-10-8-29)27-19(28-22)17-3-1-2-5-25-17/h2-4,6-7,9,14H,5,8,10-13H2,1H3,(H,25,31);2-4,6,12-14H,5,7-11H2,1H3,(H,25,31);1-4,6-7,13-14H,5,8-12H2,(H,25,30);1-3,5,11-14H,4,6-10H2,(H,26,30) |
| InChIKey | JDTWDXTXMINHGJ-UHFFFAOYSA-N |
| XLogP | 9.43 |
| TPSA | 442.54 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 132 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1850.15 |
| LogP ≤ 5 | 9.43 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 38 |
Frequently Asked Questions
What is the IUPAC name of N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide (CID 158887180) is N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide is COc1ncc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cn1.COc1nccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)n1.O=C(NCCc1ccncn1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.O=C(NCCc1cncnc1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JDTWDXTXMINHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23N7O3S.2C22H21N7O2S/c1-32-23-26-9-6-15(27-23)5-8-25-21(31)16-14-34-22-18(16)20(30-10-12-33-13-11-30)28-19(29-22)17-4-2-3-7-24-17;1-32-23-26-12-15(13-27-23)5-7-25-21(31)16-14-34-22-18(16)20(30-8-10-33-11-9-30)28-19(29-22)17-4-2-3-6-24-17;30-21(25-8-5-15-4-7-23-14-26-15)16-13-32-22-18(16)20(29-9-11-31-12-10-29)27-19(28-22)17-3-1-2-6-24-17;30-21(26-6-4-15-11-23-14-24-12-15)16-13-32-22-18(16)20(29-7-9-31-10-8-29)27-19(28-22)17-3-1-2-5-25-17/h2-4,6-7,9,14H,5,8,10-13H2,1H3,(H,25,31);2-4,6,12-14H,5,7-11H2,1H3,(H,25,31);1-4,6-7,13-14H,5,8-12H2,(H,25,30);1-3,5,11-14H,4,6-10H2,(H,26,30).
What are the key properties of N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 1850.15 g/mol, XLogP of 9.43, 26 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxypyrimidin-4-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-5-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 158887180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158887180 — identifiers, structure, computed properties (public domain)
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