About [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane
[4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane (PubChem CID 177286205) has the molecular formula C33H47N3SSi
and a molecular weight of 545.91 g/mol. Its IUPAC name is [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane.
Molecular Properties
| Compound Name | [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane |
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| PubChem CID | 177286205 |
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| Molecular Formula | C33H47N3SSi |
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| Molecular Weight | 545.91 g/mol |
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| Exact Mass | 545.33 |
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| IUPAC Name | [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane |
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| SMILES | Cc1ccc2cc(-c3ncnc4c(C)c([Si](CC(C)C)(CC(C)C)CC(C)C)sc34)cc(C(C)(C)C)c2n1 |
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| InChI | InChI=1S/C33H47N3SSi/c1-20(2)16-38(17-21(3)4,18-22(5)6)32-24(8)28-31(37-32)30(35-19-34-28)26-14-25-13-12-23(7)36-29(25)27(15-26)33(9,10)11/h12-15,19-22H,16-18H2,1-11H3 |
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| InChIKey | XOICJQILBSIYCT-UHFFFAOYSA-N |
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| XLogP | 9.44 |
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| TPSA | 38.67 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 545.91 |
| LogP ≤ 5 | 9.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane?
The IUPAC name of [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane (CID 177286205) is [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane.
What is the SMILES notation for [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane?
The canonical SMILES for [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane is Cc1ccc2cc(-c3ncnc4c(C)c([Si](CC(C)C)(CC(C)C)CC(C)C)sc34)cc(C(C)(C)C)c2n1.
What is the InChIKey of [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane?
The InChIKey is XOICJQILBSIYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N3SSi/c1-20(2)16-38(17-21(3)4,18-22(5)6)32-24(8)28-31(37-32)30(35-19-34-28)26-14-25-13-12-23(7)36-29(25)27(15-26)33(9,10)11/h12-15,19-22H,16-18H2,1-11H3.
What are the key properties of [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane?
[4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane has a molecular weight of 545.91 g/mol, XLogP of 9.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-tert-butyl-2-methylquinolin-6-yl)-7-methylthieno[3,2-d]pyrimidin-6-yl]-tris(2-methylpropyl)silane is sourced from PubChem (CID 177286205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).