KQZ
Summary
| Name: | ~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine |
| Formula: | C13 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 239.276 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H13N5/c1-18(2)13-15-7-5-11(17-13)10-8-16-12-9(10)4-3-6-14-12/h3-8H,1-2H3,(H,14,16) |
| InChIKey | InChI | 1.03 | JQRPUUYNOCHMQZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1nccc(n1)c2c[nH]c3ncccc23 |
| SMILES | CACTVS | 3.385 | CN(C)c1nccc(n1)c2c[nH]c3ncccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1nccc(n1)c2c[nH]c3c2cccn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1nccc(n1)c2c[nH]c3c2cccn3 |
