W51
Summary
| Name: | 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine |
| Formula: | C11 H15 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 238.717 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | 6-(2-azabicyclo[2.2.2]octan-2-yl)-5-chloranyl-pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C3C2CN(c1c(c(N)ncn1)Cl)C(CC2)C3 |
| InChI | InChI | 1.03 | InChI=1S/C11H15ClN4/c12-9-10(13)14-6-15-11(9)16-5-7-1-3-8(16)4-2-7/h6-8H,1-5H2,(H2,13,14,15)/t7-,8+ |
| InChIKey | InChI | 1.03 | KOPSTLNXEGIBTP-OCAPTIKFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc(N2CC3CCC2CC3)c1Cl |
| SMILES | CACTVS | 3.385 | Nc1ncnc(N2CC3CCC2CC3)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c(c(n1)N2CC3CCC2CC3)Cl)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c(c(n1)N2CC3CCC2CC3)Cl)N |
