VFU
Summary
| Name: | 5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine |
| Formula: | C16 H15 F3 N4 |
| Formal charge: | 0 |
| Formula weight: | 320.312 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15F3N4/c17-16(18,19)11-6-4-10(5-7-11)13-12(8-3-9-1-2-9)14(20)23-15(21)22-13/h3-9H,1-2H2,(H4,20,21,22,23)/b8-3+ |
| InChIKey | InChI | 1.06 | QIZPHSHTHHLIDL-FPYGCLRLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(N)c(/C=C/C2CC2)c(n1)c3ccc(cc3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1nc(N)c(C=CC2CC2)c(n1)c3ccc(cc3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(c(nc(n2)N)N)/C=C/C3CC3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(c(nc(n2)N)N)C=CC3CC3)C(F)(F)F |
