HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86634026Generated: October 27, 2026
2-{5-Chloro-2-[3-(2-methoxy-ethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamino]-pyrimidin-4-ylamino}-N-prop-2-ynyl-benzamide
https://huagongshe.com/en/chemical/86634026
Identifiers & Physical Properties
| Molecular formula | C27H29ClN6O2 |
|---|
| Average molar mass | 505 g/mol |
|---|
| Monoisotopic mass | 504.2040519 g/mol |
|---|
| SMILES | C#CCNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCN(CCOC)CC3)ncc1Cl |
|---|
| InChIKey | YFMRLTXGLFNPFR-UHFFFAOYSA-N |
|---|
| PubChem CID | 86634026 |
|---|
Chemical & Physical Properties
| XLogP | 4.7 |
|---|
| Topological polar surface area | 91.4 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 7 |
|---|
| Rotatable bonds | 9 |
|---|
| Heavy atoms | 36 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 747 |
|---|
![2-{5-Chloro-2-[3-(2-methoxy-ethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamino]-pyrimidin-4-ylamino}-N-prop-2-ynyl-benzamide molecular structure](/img/chemical/86634026.png)