About 4-chloro-2-methylthieno[2,3-d]pyrimidine
4-chloro-2-methylthieno[2,3-d]pyrimidine (PubChem CID 818255) has the molecular formula C7H5ClN2S
and a molecular weight of 184.65 g/mol. Its IUPAC name is 4-chloro-2-methylthieno[2,3-d]pyrimidine.
Molecular Properties
| Compound Name | 4-chloro-2-methylthieno[2,3-d]pyrimidine |
|---|
| PubChem CID | 818255 |
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| Molecular Formula | C7H5ClN2S |
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| Molecular Weight | 184.65 g/mol |
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| Exact Mass | 183.99 |
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| IUPAC Name | 4-chloro-2-methylthieno[2,3-d]pyrimidine |
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| SMILES | Cc1nc(Cl)c2ccsc2n1 |
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| InChI | InChI=1S/C7H5ClN2S/c1-4-9-6(8)5-2-3-11-7(5)10-4/h2-3H,1H3 |
|---|
| InChIKey | VYUDXHRVZLZWMP-UHFFFAOYSA-N |
|---|
| XLogP | 2.65 |
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| TPSA | 25.78 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 184.65 |
| LogP ≤ 5 | 2.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-chloro-2-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-methylthieno[2,3-d]pyrimidine (CID 818255) is 4-chloro-2-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-methylthieno[2,3-d]pyrimidine is Cc1nc(Cl)c2ccsc2n1.
What is the InChIKey of 4-chloro-2-methylthieno[2,3-d]pyrimidine?
The InChIKey is VYUDXHRVZLZWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S/c1-4-9-6(8)5-2-3-11-7(5)10-4/h2-3H,1H3.
What are the key properties of 4-chloro-2-methylthieno[2,3-d]pyrimidine?
4-chloro-2-methylthieno[2,3-d]pyrimidine has a molecular weight of 184.65 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 818255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).