JSY
Summary
| Name: | 6-methyl-N-(4-methylphenyl)pyrimidin-4-amine |
| Formula: | C12 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 199.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-methyl-N-(4-methylphenyl)pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | 6-methyl-~{N}-(4-methylphenyl)pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cc(Nc2ccc(C)cc2)ncn1 |
| InChI | InChI | 1.03 | InChI=1S/C12H13N3/c1-9-3-5-11(6-4-9)15-12-7-10(2)13-8-14-12/h3-8H,1-2H3,(H,13,14,15) |
| InChIKey | InChI | 1.03 | UOTKJOHTPXGQCE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(Nc2cc(C)ncn2)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(Nc2cc(C)ncn2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)Nc2cc(ncn2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)Nc2cc(ncn2)C |
