A1A7P
Summary
| Name: | 1-{[(5P)-5-(3-fluoropyridin-2-yl)pyrimidin-4-yl]amino}pyrrolidin-2-one |
| Formula: | C13 H12 F N5 O |
| Formal charge: | 0 |
| Formula weight: | 273.266 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-{[(5P)-5-(3-fluoropyridin-2-yl)pyrimidin-4-yl]amino}pyrrolidin-2-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-[[5-(3-fluoranylpyridin-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Fc1cccnc1c1cncnc1NN1CCCC1=O |
| InChI | InChI | 1.06 | InChI=1S/C13H12FN5O/c14-10-3-1-5-16-12(10)9-7-15-8-17-13(9)18-19-6-2-4-11(19)20/h1,3,5,7-8H,2,4,6H2,(H,15,17,18) |
| InChIKey | InChI | 1.06 | ICZDIOBXFKCKPL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccnc1c2cncnc2NN3CCCC3=O |
| SMILES | CACTVS | 3.385 | Fc1cccnc1c2cncnc2NN3CCCC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(nc1)c2cncnc2NN3CCCC3=O)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(nc1)c2cncnc2NN3CCCC3=O)F |
