About 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine
4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine (PubChem CID 140800854) has the molecular formula C26H37N3O3Si
and a molecular weight of 467.69 g/mol. Its IUPAC name is 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine.
Molecular Properties
| Compound Name | 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine |
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| PubChem CID | 140800854 |
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| Molecular Formula | C26H37N3O3Si |
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| Molecular Weight | 467.69 g/mol |
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| Exact Mass | 467.26 |
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| IUPAC Name | 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine |
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| SMILES | COc1nccc(C#C[C@@H]2CN(Cc3ccccc3)C[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c1N |
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| InChI | InChI=1S/C26H37N3O3Si/c1-26(2,3)33(5,6)31-19-23-18-29(16-20-10-8-7-9-11-20)17-22(32-23)13-12-21-14-15-28-25(30-4)24(21)27/h7-11,14-15,22-23H,16-19,27H2,1-6H3/t22-,23+/m1/s1 |
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| InChIKey | PVKWSTLROJBCPP-PKTZIBPZSA-N |
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| XLogP | 4.32 |
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| TPSA | 69.84 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 33 |
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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 | 467.69 |
| LogP ≤ 5 | 4.32 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine?
The IUPAC name of 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine (CID 140800854) is 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine.
What is the SMILES notation for 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine?
The canonical SMILES for 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine is COc1nccc(C#C[C@@H]2CN(Cc3ccccc3)C[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c1N.
What is the InChIKey of 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine?
The InChIKey is PVKWSTLROJBCPP-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H37N3O3Si/c1-26(2,3)33(5,6)31-19-23-18-29(16-20-10-8-7-9-11-20)17-22(32-23)13-12-21-14-15-28-25(30-4)24(21)27/h7-11,14-15,22-23H,16-19,27H2,1-6H3/t22-,23+/m1/s1.
What are the key properties of 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine?
4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine has a molecular weight of 467.69 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine is sourced from PubChem (CID 140800854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).