About 2,3,5-trimethylpyrimidin-4-one
2,3,5-trimethylpyrimidin-4-one (PubChem CID 59134427) has the molecular formula C7H10N2O
and a molecular weight of 138.17 g/mol. Its IUPAC name is 2,3,5-trimethylpyrimidin-4-one.
Molecular Properties
| Compound Name | 2,3,5-trimethylpyrimidin-4-one |
|---|
| PubChem CID | 59134427 |
|---|
| Molecular Formula | C7H10N2O |
|---|
| Molecular Weight | 138.17 g/mol |
|---|
| Exact Mass | 138.08 |
|---|
| IUPAC Name | 2,3,5-trimethylpyrimidin-4-one |
|---|
| SMILES | Cc1cnc(C)n(C)c1=O |
|---|
| InChI | InChI=1S/C7H10N2O/c1-5-4-8-6(2)9(3)7(5)10/h4H,1-3H3 |
|---|
| InChIKey | SSUWTDUHDKZXTC-UHFFFAOYSA-N |
|---|
| XLogP | 0.40 |
|---|
| TPSA | 34.89 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 10 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 138.17 |
| LogP ≤ 5 | 0.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2,3,5-trimethylpyrimidin-4-one?
The IUPAC name of 2,3,5-trimethylpyrimidin-4-one (CID 59134427) is 2,3,5-trimethylpyrimidin-4-one.
What is the SMILES notation for 2,3,5-trimethylpyrimidin-4-one?
The canonical SMILES for 2,3,5-trimethylpyrimidin-4-one is Cc1cnc(C)n(C)c1=O.
What is the InChIKey of 2,3,5-trimethylpyrimidin-4-one?
The InChIKey is SSUWTDUHDKZXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-4-8-6(2)9(3)7(5)10/h4H,1-3H3.
What are the key properties of 2,3,5-trimethylpyrimidin-4-one?
2,3,5-trimethylpyrimidin-4-one has a molecular weight of 138.17 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylpyrimidin-4-one is sourced from PubChem (CID 59134427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).