About 3-amino-6-(morpholin-4-ylamino)pyridine-2-carbonitrile
3-amino-6-(morpholin-4-ylamino)pyridine-2-carbonitrile (PubChem CID 103468941) has the molecular formula C10H13N5O
and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-amino-6-(morpholin-4-ylamino)pyridine-2-carbonitrile.
Molecular Properties
| Compound Name | 3-amino-6-(morpholin-4-ylamino)pyridine-2-carbonitrile |
| PubChem CID | 103468941 |
| Molecular Formula | C10H13N5O |
| Molecular Weight | 219.25 g/mol |
| Exact Mass | 219.11 |
| IUPAC Name | 3-amino-6-(morpholin-4-ylamino)pyridine-2-carbonitrile |
| SMILES | N#Cc1nc(NN2CCOCC2)ccc1N |
| InChI | InChI=1S/C10H13N5O/c11-7-9-8(12)1-2-10(13-9)14-15-3-5-16-6-4-15/h1-2H,3-6,12H2,(H,13,14) |
| InChIKey | PGUDOOUADCJTJQ-UHFFFAOYSA-N |
| XLogP | 0.19 |
| TPSA | 87.20 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 219.25 |
| LogP ≤ 5 | 0.19 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 3-amino-6-(morpholin-4-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(morpholin-4-ylamino)pyridine-2-carbonitrile (CID 103468941) is 3-amino-6-(morpholin-4-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(morpholin-4-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(morpholin-4-ylamino)pyridine-2-carbonitrile is N#Cc1nc(NN2CCOCC2)ccc1N.
What is the InChIKey of 3-amino-6-(morpholin-4-ylamino)pyridine-2-carbonitrile?
The InChIKey is PGUDOOUADCJTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-7-9-8(12)1-2-10(13-9)14-15-3-5-16-6-4-15/h1-2H,3-6,12H2,(H,13,14).
What are the key properties of 3-amino-6-(morpholin-4-ylamino)pyridine-2-carbonitrile?
3-amino-6-(morpholin-4-ylamino)pyridine-2-carbonitrile has a molecular weight of 219.25 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(morpholin-4-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 103468941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).