VQB
Summary
| Name: | 4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-amine |
| Formula: | C8 H11 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 198.653 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-amine |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1c(ncnc1Cl)N1CCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C8H11ClN4/c9-7-6(10)8(12-5-11-7)13-3-1-2-4-13/h5H,1-4,10H2 |
| InChIKey | InChI | 1.06 | HGBSHFZMWYKLPY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1c(Cl)ncnc1N2CCCC2 |
| SMILES | CACTVS | 3.385 | Nc1c(Cl)ncnc1N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c(c(n1)Cl)N)N2CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c(c(n1)Cl)N)N2CCCC2 |
