2GD
Summary
| Name: | 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine |
| Formula: | C11 H10 Cl2 N4 |
| Formal charge: | 0 |
| Formula weight: | 269.13 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.7.6 | 6-[2,3-bis(chloranyl)phenyl]-N4-methyl-pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2c(Cl)c(c1nc(nc(c1)NC)N)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17) |
| InChIKey | InChI | 1.03 | URWCXPXBBITYLR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc(nc(N)n1)c2cccc(Cl)c2Cl |
| SMILES | CACTVS | 3.385 | CNc1cc(nc(N)n1)c2cccc(Cl)c2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNc1cc(nc(n1)N)c2cccc(c2Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNc1cc(nc(n1)N)c2cccc(c2Cl)Cl |
