About pyrido[1,2-a]pyrimidine-4-thione
pyrido[1,2-a]pyrimidine-4-thione (PubChem CID 56619255) has the molecular formula C8H6N2S
and a molecular weight of 162.22 g/mol. Its IUPAC name is pyrido[1,2-a]pyrimidine-4-thione.
Molecular Properties
| Compound Name | pyrido[1,2-a]pyrimidine-4-thione |
|---|
| PubChem CID | 56619255 |
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| Molecular Formula | C8H6N2S |
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| Molecular Weight | 162.22 g/mol |
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| Exact Mass | 162.03 |
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| IUPAC Name | pyrido[1,2-a]pyrimidine-4-thione |
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| SMILES | S=c1ccnc2ccccn12 |
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| InChI | InChI=1S/C8H6N2S/c11-8-4-5-9-7-3-1-2-6-10(7)8/h1-6H |
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| InChIKey | VYODVRULSWLHAB-UHFFFAOYSA-N |
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| XLogP | 2.06 |
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| TPSA | 17.30 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 | 162.22 |
| LogP ≤ 5 | 2.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of pyrido[1,2-a]pyrimidine-4-thione?
The IUPAC name of pyrido[1,2-a]pyrimidine-4-thione (CID 56619255) is pyrido[1,2-a]pyrimidine-4-thione.
What is the SMILES notation for pyrido[1,2-a]pyrimidine-4-thione?
The canonical SMILES for pyrido[1,2-a]pyrimidine-4-thione is S=c1ccnc2ccccn12.
What is the InChIKey of pyrido[1,2-a]pyrimidine-4-thione?
The InChIKey is VYODVRULSWLHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S/c11-8-4-5-9-7-3-1-2-6-10(7)8/h1-6H.
What are the key properties of pyrido[1,2-a]pyrimidine-4-thione?
pyrido[1,2-a]pyrimidine-4-thione has a molecular weight of 162.22 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[1,2-a]pyrimidine-4-thione is sourced from PubChem (CID 56619255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).