IW9
Summary
| Name: | 5-butoxy-4-ethoxypyrimidin-2-amine |
| Formula: | C10 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 211.261 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-butoxy-4-ethoxypyrimidin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 5-butoxy-4-ethoxy-pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1nc(OCC)c(cn1)OCCCC |
| InChI | InChI | 1.03 | InChI=1S/C10H17N3O2/c1-3-5-6-15-8-7-12-10(11)13-9(8)14-4-2/h7H,3-6H2,1-2H3,(H2,11,12,13) |
| InChIKey | InChI | 1.03 | ORONXSSMYKMNFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCOc1cnc(N)nc1OCC |
| SMILES | CACTVS | 3.385 | CCCCOc1cnc(N)nc1OCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCOc1cnc(nc1OCC)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCOc1cnc(nc1OCC)N |
