About N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 137429503) has the molecular formula C26H25N5O2S
and a molecular weight of 471.59 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.
Molecular Properties
| Compound Name | N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine |
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| PubChem CID | 137429503 |
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| Molecular Formula | C26H25N5O2S |
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| Molecular Weight | 471.59 g/mol |
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| Exact Mass | 471.17 |
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| IUPAC Name | N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine |
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| SMILES | COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccc(OC)cc3)c12 |
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| InChI | InChI=1S/C26H25N5O2S/c1-31-15-13-28-25(31)24-29-23(27-14-16-32-2)21-20(17-9-11-19(33-3)12-10-17)22(34-26(21)30-24)18-7-5-4-6-8-18/h4-13,15H,14,16H2,1-3H3,(H,27,29,30) |
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| InChIKey | DPOFHBSMFNSMNX-UHFFFAOYSA-N |
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| XLogP | 5.49 |
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| TPSA | 74.09 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 471.59 |
| LogP ≤ 5 | 5.49 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 137429503) is N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccc(OC)cc3)c12.
What is the InChIKey of N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DPOFHBSMFNSMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-31-15-13-28-25(31)24-29-23(27-14-16-32-2)21-20(17-9-11-19(33-3)12-10-17)22(34-26(21)30-24)18-7-5-4-6-8-18/h4-13,15H,14,16H2,1-3H3,(H,27,29,30).
What are the key properties of N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 471.59 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 137429503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).