LES
Summary
| Name: | (3S)-N-(pyrimidin-2-yl)azepan-3-amine |
| Formula: | C10 H16 N4 |
| Formal charge: | 0 |
| Formula weight: | 192.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-N-(pyrimidin-2-yl)azepan-3-amine |
| OpenEye OEToolkits | 2.0.6 | (3~{S})-~{N}-pyrimidin-2-ylazepan-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C1CNCCCC1)c2ncccn2 |
| InChI | InChI | 1.03 | InChI=1S/C10H16N4/c1-2-5-11-8-9(4-1)14-10-12-6-3-7-13-10/h3,6-7,9,11H,1-2,4-5,8H2,(H,12,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | PFXDAYBNPUUKPB-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CC[C@@H](CNC1)Nc2ncccn2 |
| SMILES | CACTVS | 3.385 | C1CC[CH](CNC1)Nc2ncccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1)N[C@H]2CCCCNC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1)NC2CCCCNC2 |
