HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67006808Generated: November 2, 2026
(S)-1-(1-{2-[1-(4-Fluorophenyl)ethylamino]-6-(pyrazin-2-yl amino)pyrimidin-4-yl}azetidin-3-yl)urea
https://huagongshe.com/en/chemical/67006808
Identifiers & Physical Properties
| Molecular formula | C20H22FN9O |
|---|
| Average molar mass | 423.4 g/mol |
|---|
| Monoisotopic mass | 423.19313452 g/mol |
|---|
| SMILES | C[C@H](Nc1nc(Nc2cnccn2)cc(N2CC(NC(N)=O)C2)n1)c1ccc(F)cc1 |
|---|
| InChIKey | SQFHLJBBDSLIRF-LBPRGKRZSA-N |
|---|
| PubChem CID | 67006808 |
|---|
Chemical & Physical Properties
| XLogP | 1.6 |
|---|
| Topological polar surface area | 134 |
|---|
| Hydrogen bond donors | 4 |
|---|
| Hydrogen bond acceptors | 9 |
|---|
| Rotatable bonds | 7 |
|---|
| Heavy atoms | 31 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 585 |
|---|
![(S)-1-(1-{2-[1-(4-Fluorophenyl)ethylamino]-6-(pyrazin-2-yl amino)pyrimidin-4-yl}azetidin-3-yl)urea molecular structure](/img/chemical/67006808.png)