About 2-[4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3-oxopiperazin-1-yl]acetamide
2-[4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3-oxopiperazin-1-yl]acetamide (PubChem CID 162660281) has the molecular formula C26H30N8O3S
and a molecular weight of 534.65 g/mol. Its IUPAC name is 2-[4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3-oxopiperazin-1-yl]acetamide.
Molecular Properties
| Compound Name | 2-[4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3-oxopiperazin-1-yl]acetamide |
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| PubChem CID | 162660281 |
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| Molecular Formula | C26H30N8O3S |
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| Molecular Weight | 534.65 g/mol |
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| Exact Mass | 534.22 |
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| IUPAC Name | 2-[4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3-oxopiperazin-1-yl]acetamide |
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| SMILES | CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC(N)=O)CC3=O)cc2n1 |
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| InChI | InChI=1S/C26H30N8O3S/c1-2-22-28-18-5-3-4-6-20(18)34(22)26-29-19-13-17(14-33-8-7-31(15-21(27)35)16-23(33)36)38-24(19)25(30-26)32-9-11-37-12-10-32/h3-6,13H,2,7-12,14-16H2,1H3,(H2,27,35) |
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| InChIKey | REVREHDZOIBYAG-UHFFFAOYSA-N |
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| XLogP | 1.56 |
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| TPSA | 122.71 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 534.65 |
| LogP ≤ 5 | 1.56 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 2-[4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3-oxopiperazin-1-yl]acetamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3-oxopiperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3-oxopiperazin-1-yl]acetamide (CID 162660281) is 2-[4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3-oxopiperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3-oxopiperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3-oxopiperazin-1-yl]acetamide is CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC(N)=O)CC3=O)cc2n1.
What is the InChIKey of 2-[4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3-oxopiperazin-1-yl]acetamide?
The InChIKey is REVREHDZOIBYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O3S/c1-2-22-28-18-5-3-4-6-20(18)34(22)26-29-19-13-17(14-33-8-7-31(15-21(27)35)16-23(33)36)38-24(19)25(30-26)32-9-11-37-12-10-32/h3-6,13H,2,7-12,14-16H2,1H3,(H2,27,35).
What are the key properties of 2-[4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3-oxopiperazin-1-yl]acetamide?
2-[4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3-oxopiperazin-1-yl]acetamide has a molecular weight of 534.65 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-3-oxopiperazin-1-yl]acetamide is sourced from PubChem (CID 162660281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).