About 2-(6-methoxyquinazolin-4-yl)ethanamine
2-(6-methoxyquinazolin-4-yl)ethanamine (PubChem CID 105455353) has the molecular formula C11H13N3O
and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(6-methoxyquinazolin-4-yl)ethanamine.
Molecular Properties
| Compound Name | 2-(6-methoxyquinazolin-4-yl)ethanamine |
| PubChem CID | 105455353 |
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.25 g/mol |
| Exact Mass | 203.11 |
| IUPAC Name | 2-(6-methoxyquinazolin-4-yl)ethanamine |
| SMILES | COc1ccc2ncnc(CCN)c2c1 |
| InChI | InChI=1S/C11H13N3O/c1-15-8-2-3-10-9(6-8)11(4-5-12)14-7-13-10/h2-3,6-7H,4-5,12H2,1H3 |
| InChIKey | BQASXDYERZGNQW-UHFFFAOYSA-N |
| XLogP | 1.14 |
| TPSA | 61.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 203.25 |
| LogP ≤ 5 | 1.14 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 2-(6-methoxyquinazolin-4-yl)ethanamine?
The IUPAC name of 2-(6-methoxyquinazolin-4-yl)ethanamine (CID 105455353) is 2-(6-methoxyquinazolin-4-yl)ethanamine.
What is the SMILES notation for 2-(6-methoxyquinazolin-4-yl)ethanamine?
The canonical SMILES for 2-(6-methoxyquinazolin-4-yl)ethanamine is COc1ccc2ncnc(CCN)c2c1.
What is the InChIKey of 2-(6-methoxyquinazolin-4-yl)ethanamine?
The InChIKey is BQASXDYERZGNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-8-2-3-10-9(6-8)11(4-5-12)14-7-13-10/h2-3,6-7H,4-5,12H2,1H3.
What are the key properties of 2-(6-methoxyquinazolin-4-yl)ethanamine?
2-(6-methoxyquinazolin-4-yl)ethanamine has a molecular weight of 203.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxyquinazolin-4-yl)ethanamine is sourced from PubChem (CID 105455353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).