RMGRPSPQXOZGAH-UHFFFAOYSA-N
C26H24F3N5O2 — CID 154632910
Data last refreshed: (MolForge compound catalog, from PubChem)
About RMGRPSPQXOZGAH-UHFFFAOYSA-N
RMGRPSPQXOZGAH-UHFFFAOYSA-N (PubChem CID 154632910) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one.
Molecular Properties
| Compound Name | RMGRPSPQXOZGAH-UHFFFAOYSA-N |
|---|---|
| PubChem CID | 154632910 |
| Molecular Formula | C26H24F3N5O2 |
| Molecular Weight | 495.51 g/mol |
| Exact Mass | 495.19 |
| IUPAC Name | 3-methyl-6-pyridin-4-yl-2-[2-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-9-yl]amino]ethoxy]pyrimidin-4-one |
| SMILES | Cn1c(OCCNc2c3c(nc4cc(C(F)(F)F)ccc24)CCCC3)nc(-c2ccncc2)cc1=O |
| InChI | InChI=1S/C26H24F3N5O2/c1-34-23(35)15-21(16-8-10-30-11-9-16)33-25(34)36-13-12-31-24-18-4-2-3-5-20(18)32-22-14-17(26(27,28)29)6-7-19(22)24/h6-11,14-15H,2-5,12-13H2,1H3,(H,31,32) |
| InChIKey | RMGRPSPQXOZGAH-UHFFFAOYSA-N |
| XLogP | 4.78 |
| TPSA | 81.93 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 36 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 495.51 |
| LogP ≤ 5 | 4.78 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
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Sources
- PubChem CID 154632910 — identifiers, structure, computed properties (public domain)
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