JR2
Summary
| Name: | 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine |
| Formula: | C10 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 203.244 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine |
| OpenEye OEToolkits | 1.7.6 | 4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(nc(c2ccnc12)N3CCCC3)N |
| InChI | InChI | 1.03 | InChI=1S/C10H13N5/c11-10-13-8-7(3-4-12-8)9(14-10)15-5-1-2-6-15/h3-4H,1-2,5-6H2,(H3,11,12,13,14) |
| InChIKey | InChI | 1.03 | AZLCKCSXUACTMA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc2[nH]ccc2c(n1)N3CCCC3 |
| SMILES | CACTVS | 3.385 | Nc1nc2[nH]ccc2c(n1)N3CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c[nH]c2c1c(nc(n2)N)N3CCCC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c[nH]c2c1c(nc(n2)N)N3CCCC3 |
