2GE
Summary
| Name: | N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine |
| Formula: | C13 H12 Cl2 N4 |
| Formal charge: | 0 |
| Formula weight: | 295.167 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.7.6 | 6-[2,3-bis(chloranyl)phenyl]-N4-cyclopropyl-pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc3c(Cl)c(c1nc(nc(c1)NC2CC2)N)ccc3 |
| InChI | InChI | 1.03 | InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) |
| InChIKey | InChI | 1.03 | PNMYJIOQIAEYQL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(NC2CC2)cc(n1)c3cccc(Cl)c3Cl |
| SMILES | CACTVS | 3.385 | Nc1nc(NC2CC2)cc(n1)c3cccc(Cl)c3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3 |
