9HL
Summary
| Name: | N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine |
| Synonyms: | 2-(2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)-N-(2-(3-FLUOROPHENYL)CYCLOPROPYLMETHYL)ETHAN-1-AMINE |
| Formula: | C19 H20 F N5 |
| Formal charge: | 0 |
| Formula weight: | 337.394 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine |
| OpenEye OEToolkits | 1.7.6 | N-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl]-2-(2-imidazol-1-ylpyrimidin-4-yl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cccc(c1)C2CC2CNCCc3nc(ncc3)n4ccnc4 |
| InChI | InChI | 1.03 | InChI=1S/C19H20FN5/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2/t15-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | GLFSJKKKONEYJI-YJBOKZPZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(c1)[C@@H]2C[C@H]2CNCCc3ccnc(n3)n4ccnc4 |
| SMILES | CACTVS | 3.385 | Fc1cccc(c1)[CH]2C[CH]2CNCCc3ccnc(n3)n4ccnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)F)[C@@H]2C[C@H]2CNCCc3ccnc(n3)n4ccnc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)F)C2CC2CNCCc3ccnc(n3)n4ccnc4 |
