4XS
Summary
| Name: | 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine |
| Formula: | C8 H8 Cl2 N2 |
| Formal charge: | 0 |
| Formula weight: | 203.069 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine |
| OpenEye OEToolkits | 1.9.2 | 4,6-bis(chloranyl)-2-cyclopropyl-5-methyl-pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(Cl)c(C)c(nc(n1)C2CC2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C8H8Cl2N2/c1-4-6(9)11-8(5-2-3-5)12-7(4)10/h5H,2-3H2,1H3 |
| InChIKey | InChI | 1.03 | AEKXEKPMZIZYLD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(Cl)nc(nc1Cl)C2CC2 |
| SMILES | CACTVS | 3.385 | Cc1c(Cl)nc(nc1Cl)C2CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(nc(nc1Cl)C2CC2)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(nc(nc1Cl)C2CC2)Cl |
