About 5-(2-methylphenyl)pyrimidine
5-(2-methylphenyl)pyrimidine (PubChem CID 4188102) has the molecular formula C11H10N2
and a molecular weight of 170.22 g/mol. Its IUPAC name is 5-(2-methylphenyl)pyrimidine.
Molecular Properties
| Compound Name | 5-(2-methylphenyl)pyrimidine |
|---|
| PubChem CID | 4188102 |
|---|
| Molecular Formula | C11H10N2 |
|---|
| Molecular Weight | 170.22 g/mol |
|---|
| Exact Mass | 170.08 |
|---|
| IUPAC Name | 5-(2-methylphenyl)pyrimidine |
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| SMILES | Cc1ccccc1-c1cncnc1 |
|---|
| InChI | InChI=1S/C11H10N2/c1-9-4-2-3-5-11(9)10-6-12-8-13-7-10/h2-8H,1H3 |
|---|
| InChIKey | NQTQRKPGRSRXFX-UHFFFAOYSA-N |
|---|
| XLogP | 2.45 |
|---|
| TPSA | 25.78 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 1 |
|---|
| Heavy Atoms | 13 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 170.22 |
| LogP ≤ 5 | 2.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 5-(2-methylphenyl)pyrimidine?
The IUPAC name of 5-(2-methylphenyl)pyrimidine (CID 4188102) is 5-(2-methylphenyl)pyrimidine.
What is the SMILES notation for 5-(2-methylphenyl)pyrimidine?
The canonical SMILES for 5-(2-methylphenyl)pyrimidine is Cc1ccccc1-c1cncnc1.
What is the InChIKey of 5-(2-methylphenyl)pyrimidine?
The InChIKey is NQTQRKPGRSRXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-9-4-2-3-5-11(9)10-6-12-8-13-7-10/h2-8H,1H3.
What are the key properties of 5-(2-methylphenyl)pyrimidine?
5-(2-methylphenyl)pyrimidine has a molecular weight of 170.22 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)pyrimidine is sourced from PubChem (CID 4188102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).