About 2-[[3-bromo-5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
2-[[3-bromo-5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164881195) has the molecular formula C19H24BrFN6O2Si
and a molecular weight of 495.43 g/mol. Its IUPAC name is 2-[[3-bromo-5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[3-bromo-5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 164881195 |
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| Molecular Formula | C19H24BrFN6O2Si |
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| Molecular Weight | 495.43 g/mol |
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| Exact Mass | 494.09 |
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| IUPAC Name | 2-[[3-bromo-5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | COc1ncnc(C2(F)CC2)c1-c1ncc2c(n1)c(Br)nn2COCC[Si](C)(C)C |
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| InChI | InChI=1S/C19H24BrFN6O2Si/c1-28-18-13(15(23-10-24-18)19(21)5-6-19)17-22-9-12-14(25-17)16(20)26-27(12)11-29-7-8-30(2,3)4/h9-10H,5-8,11H2,1-4H3 |
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| InChIKey | QHNXECLZPPDXSC-UHFFFAOYSA-N |
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| XLogP | 4.33 |
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| TPSA | 87.84 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 8 |
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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 | 495.43 |
| LogP ≤ 5 | 4.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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-[[3-bromo-5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-bromo-5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (CID 164881195) is 2-[[3-bromo-5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-bromo-5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-bromo-5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is COc1ncnc(C2(F)CC2)c1-c1ncc2c(n1)c(Br)nn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[[3-bromo-5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is QHNXECLZPPDXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrFN6O2Si/c1-28-18-13(15(23-10-24-18)19(21)5-6-19)17-22-9-12-14(25-17)16(20)26-27(12)11-29-7-8-30(2,3)4/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 2-[[3-bromo-5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-bromo-5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 495.43 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-5-[4-(1-fluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164881195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).