About 2,6-dimethyl-4H-pyrimidin-4-ide;tungsten
2,6-dimethyl-4H-pyrimidin-4-ide;tungsten (PubChem CID 59779605) has the molecular formula C6H7N2W-
and a molecular weight of 290.98 g/mol. Its IUPAC name is 2,6-dimethyl-4H-pyrimidin-4-ide;tungsten.
Molecular Properties
| Compound Name | 2,6-dimethyl-4H-pyrimidin-4-ide;tungsten |
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| PubChem CID | 59779605 |
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| Molecular Formula | C6H7N2W- |
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| Molecular Weight | 290.98 g/mol |
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| Exact Mass | 291.01 |
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| IUPAC Name | 2,6-dimethyl-4H-pyrimidin-4-ide;tungsten |
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| SMILES | Cc1c[c-]nc(C)n1.[W] |
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| InChI | InChI=1S/C6H7N2.W/c1-5-3-4-7-6(2)8-5;/h3H,1-2H3;/q-1; |
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| InChIKey | SBAFKGBYTLBWJZ-UHFFFAOYSA-N |
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| XLogP | 0.89 |
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| TPSA | 25.78 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 290.98 |
| LogP ≤ 5 | 0.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2,6-dimethyl-4H-pyrimidin-4-ide;tungsten?
The IUPAC name of 2,6-dimethyl-4H-pyrimidin-4-ide;tungsten (CID 59779605) is 2,6-dimethyl-4H-pyrimidin-4-ide;tungsten.
What is the SMILES notation for 2,6-dimethyl-4H-pyrimidin-4-ide;tungsten?
The canonical SMILES for 2,6-dimethyl-4H-pyrimidin-4-ide;tungsten is Cc1c[c-]nc(C)n1.[W].
What is the InChIKey of 2,6-dimethyl-4H-pyrimidin-4-ide;tungsten?
The InChIKey is SBAFKGBYTLBWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2.W/c1-5-3-4-7-6(2)8-5;/h3H,1-2H3;/q-1;.
What are the key properties of 2,6-dimethyl-4H-pyrimidin-4-ide;tungsten?
2,6-dimethyl-4H-pyrimidin-4-ide;tungsten has a molecular weight of 290.98 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4H-pyrimidin-4-ide;tungsten is sourced from PubChem (CID 59779605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).