NUJ
Summary
| Name: | trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol |
| Formula: | C11 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 207.272 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol |
| OpenEye OEToolkits | 2.0.6 | 3-[(2,6-dimethylpyrimidin-4-yl)-methyl-amino]cyclobutan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(c1nc(C)nc(c1)C)(C)C2CC(C2)O |
| InChI | InChI | 1.03 | InChI=1S/C11H17N3O/c1-7-4-11(13-8(2)12-7)14(3)9-5-10(15)6-9/h4,9-10,15H,5-6H2,1-3H3/t9-,10- |
| InChIKey | InChI | 1.03 | SEZOHQAJJCEOMQ-MGCOHNPYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN([C@@H]1C[C@@H](O)C1)c2cc(C)nc(C)n2 |
| SMILES | CACTVS | 3.385 | CN([CH]1C[CH](O)C1)c2cc(C)nc(C)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(n1)C)N(C)C2CC(C2)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(n1)C)N(C)C2CC(C2)O |
