About 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (PubChem CID 131744732) has the molecular formula C21H28ClN5O2Si
and a molecular weight of 446.03 g/mol. Its IUPAC name is 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 131744732 |
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| Molecular Formula | C21H28ClN5O2Si |
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| Molecular Weight | 446.03 g/mol |
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| Exact Mass | 445.17 |
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| IUPAC Name | 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | C[Si](C)(C)CCOCn1c(-c2ccc(N3CCOCC3)nc2)cc2c(Cl)ncnc21 |
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| InChI | InChI=1S/C21H28ClN5O2Si/c1-30(2,3)11-10-29-15-27-18(12-17-20(22)24-14-25-21(17)27)16-4-5-19(23-13-16)26-6-8-28-9-7-26/h4-5,12-14H,6-11,15H2,1-3H3 |
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| InChIKey | HASVRFNPYARGBY-UHFFFAOYSA-N |
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| XLogP | 4.30 |
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| TPSA | 65.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 446.03 |
| LogP ≤ 5 | 4.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (CID 131744732) is 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2ccc(N3CCOCC3)nc2)cc2c(Cl)ncnc21.
What is the InChIKey of 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HASVRFNPYARGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O2Si/c1-30(2,3)11-10-29-15-27-18(12-17-20(22)24-14-25-21(17)27)16-4-5-19(23-13-16)26-6-8-28-9-7-26/h4-5,12-14H,6-11,15H2,1-3H3.
What are the key properties of 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 446.03 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 131744732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).