K2V
Summary
| Name: | (1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-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 | (1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine |
| OpenEye OEToolkits | 2.0.6 | (1~{R})-1-(4-pyrimidin-5-ylphenyl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2cc(c1ccc(cc1)C(N)C)cnc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H13N3/c1-9(13)10-2-4-11(5-3-10)12-6-14-8-15-7-12/h2-9H,13H2,1H3/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | AEJFWHRDKIKKDQ-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N)c1ccc(cc1)c2cncnc2 |
| SMILES | CACTVS | 3.385 | C[CH](N)c1ccc(cc1)c2cncnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](c1ccc(cc1)c2cncnc2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1ccc(cc1)c2cncnc2)N |
