1QO
Summary
| Name: | N-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine |
| Formula: | C16 H14 N4 |
| Formal charge: | 0 |
| Formula weight: | 262.309 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine |
| OpenEye OEToolkits | 1.7.6 | N-(phenylmethyl)-4-pyridin-3-yl-pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(ccnc1NCc2ccccc2)c3cccnc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H14N4/c1-2-5-13(6-3-1)11-19-16-18-10-8-15(20-16)14-7-4-9-17-12-14/h1-10,12H,11H2,(H,18,19,20) |
| InChIKey | InChI | 1.03 | JTYLHRZXSYVYMO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C(Nc1nccc(n1)c2cccnc2)c3ccccc3 |
| SMILES | CACTVS | 3.370 | C(Nc1nccc(n1)c2cccnc2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CNc2nccc(n2)c3cccnc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CNc2nccc(n2)c3cccnc3 |
