4XY
Summary
| Name: | 6-chloro-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine |
| Formula: | C11 H16 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 225.718 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-chloro-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine |
| OpenEye OEToolkits | 1.9.2 | 6-chloranyl-2-cyclopropyl-5-methyl-N-propyl-pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(NCCC)c(c(Cl)nc(C1CC1)n2)C |
| InChI | InChI | 1.03 | InChI=1S/C11H16ClN3/c1-3-6-13-10-7(2)9(12)14-11(15-10)8-4-5-8/h8H,3-6H2,1-2H3,(H,13,14,15) |
| InChIKey | InChI | 1.03 | YWNJZQBPACVEDC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCNc1nc(nc(Cl)c1C)C2CC2 |
| SMILES | CACTVS | 3.385 | CCCNc1nc(nc(Cl)c1C)C2CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCNc1c(c(nc(n1)C2CC2)Cl)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCNc1c(c(nc(n1)C2CC2)Cl)C |
