K2G
Summary
| Name: | 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide |
| Formula: | C8 H10 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 199.637 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 5-chloranyl-2-propan-2-yl-pyrimidine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c(cnc1C(C)C)Cl)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H10ClN3O/c1-4(2)8-11-3-5(9)6(12-8)7(10)13/h3-4H,1-2H3,(H2,10,13) |
| InChIKey | InChI | 1.03 | PCWKLVQVDIXCTG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ncc(Cl)c(n1)C(N)=O |
| SMILES | CACTVS | 3.385 | CC(C)c1ncc(Cl)c(n1)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1ncc(c(n1)C(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1ncc(c(n1)C(=O)N)Cl |
