K9L
Summary
| Name: | (1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine |
| 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 | (1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine |
| OpenEye OEToolkits | 1.7.6 | (1S,2S)-2-[(3-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]cyclopropan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cccc(c1)CC4CC4NCCc2nc(ncc2)n3ccnc3 |
| InChI | InChI | 1.03 | InChI=1S/C19H20FN5/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2/t15-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | CYEVFFVOLRMDHH-YJBOKZPZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(C[C@H]2C[C@@H]2NCCc3ccnc(n3)n4ccnc4)c1 |
| SMILES | CACTVS | 3.385 | Fc1cccc(C[CH]2C[CH]2NCCc3ccnc(n3)n4ccnc4)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)F)C[C@H]2C[C@@H]2NCCc3ccnc(n3)n4ccnc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)F)CC2CC2NCCc3ccnc(n3)n4ccnc4 |
