About 2,4,6-trimethylpyrimidine
2,4,6-trimethylpyrimidine (PubChem CID 817251) has the molecular formula C7H10N2
and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,4,6-trimethylpyrimidine.
Molecular Properties
| Compound Name | 2,4,6-trimethylpyrimidine |
|---|
| PubChem CID | 817251 |
|---|
| Molecular Formula | C7H10N2 |
|---|
| Molecular Weight | 122.17 g/mol |
|---|
| Exact Mass | 122.08 |
|---|
| IUPAC Name | 2,4,6-trimethylpyrimidine |
|---|
| SMILES | Cc1cc(C)nc(C)n1 |
|---|
| InChI | InChI=1S/C7H10N2/c1-5-4-6(2)9-7(3)8-5/h4H,1-3H3 |
|---|
| InChIKey | HCATUIMBJIDQDT-UHFFFAOYSA-N |
|---|
| XLogP | 1.40 |
|---|
| TPSA | 25.78 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 9 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 122.17 |
| LogP ≤ 5 | 1.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2,4,6-trimethylpyrimidine?
The IUPAC name of 2,4,6-trimethylpyrimidine (CID 817251) is 2,4,6-trimethylpyrimidine.
What is the SMILES notation for 2,4,6-trimethylpyrimidine?
The canonical SMILES for 2,4,6-trimethylpyrimidine is Cc1cc(C)nc(C)n1.
What is the InChIKey of 2,4,6-trimethylpyrimidine?
The InChIKey is HCATUIMBJIDQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-5-4-6(2)9-7(3)8-5/h4H,1-3H3.
What are the key properties of 2,4,6-trimethylpyrimidine?
2,4,6-trimethylpyrimidine has a molecular weight of 122.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylpyrimidine is sourced from PubChem (CID 817251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).