5JT
Summary
| Name: | (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine |
| Formula: | C11 H15 N5 |
| Formal charge: | 0 |
| Formula weight: | 217.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine |
| OpenEye OEToolkits | 1.9.2 | (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2nc3c(c(N1CC(CCC1)N)n2)ccn3 |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5/c12-8-2-1-5-16(6-8)11-9-3-4-13-10(9)14-7-15-11/h3-4,7-8H,1-2,5-6,12H2,(H,13,14,15)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | RAXIOGMWIDLDQC-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1CCCN(C1)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | N[CH]1CCCN(C1)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1c[nH]c2c1c(ncn2)N3CCCC(C3)N |
