VUA
Summary
| Name: | 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine |
| Formula: | C18 H24 N4 |
| Formal charge: | 0 |
| Formula weight: | 296.41 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 4-(4-methylpiperidin-1-yl)-~{N}-(2-phenylethyl)pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2ccc(N1CCC(CC1)C)nc2NCCc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)17-8-12-20-18(21-17)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21) |
| InChIKey | InChI | 1.03 | FAHPWKWHSCNRBO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1CCN(CC1)c2ccnc(NCCc3ccccc3)n2 |
| SMILES | CACTVS | 3.385 | CC1CCN(CC1)c2ccnc(NCCc3ccccc3)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1CCN(CC1)c2ccnc(n2)NCCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCN(CC1)c2ccnc(n2)NCCc3ccccc3 |
