3RP
Summary
| Name: | 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine |
| Formula: | C12 H11 Cl2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 284.141 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine |
| OpenEye OEToolkits | 1.7.2 | 4-[2,4-bis(chloranyl)-5-methoxy-phenyl]-6-methyl-pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1c(OC)cc(c(Cl)c1)c2nc(nc(c2)C)N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(c(Cl)cc1Cl)c2cc(C)nc(N)n2 |
| SMILES | CACTVS | 3.370 | COc1cc(c(Cl)cc1Cl)c2cc(C)nc(N)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1cc(nc(n1)N)c2cc(c(cc2Cl)Cl)OC |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1cc(nc(n1)N)c2cc(c(cc2Cl)Cl)OC |
| InChI | InChI | 1.03 | InChI=1S/C12H11Cl2N3O/c1-6-3-10(17-12(15)16-6)7-4-11(18-2)9(14)5-8(7)13/h3-5H,1-2H3,(H2,15,16,17) |
| InChIKey | InChI | 1.03 | KYSQWARAEPTJAQ-UHFFFAOYSA-N |
