4H8
Summary
| Name: | 4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide |
| Formula: | C10 H17 N5 O |
| Formal charge: | 0 |
| Formula weight: | 223.275 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 4-azanyl-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(CNc1ncc(C(N)=O)c(n1)N)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H17N5O/c1-10(2,3)5-14-9-13-4-6(8(12)16)7(11)15-9/h4H,5H2,1-3H3,(H2,12,16)(H3,11,13,14,15) |
| InChIKey | InChI | 1.03 | PYEPYUBHFUICHO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)CNc1ncc(C(N)=O)c(N)n1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)CNc1ncc(C(N)=O)c(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C)CNc1ncc(c(n1)N)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C)CNc1ncc(c(n1)N)C(=O)N |
