XFE
Summary
| Name: | (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-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-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine |
| OpenEye OEToolkits | 1.7.0 | (1S,3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cnc(c2c(cnc12)C)N3CCC(N)C3 |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1c[nH]c2ncnc(N3CC[C@@H](N)C3)c12 |
| SMILES | CACTVS | 3.370 | Cc1c[nH]c2ncnc(N3CC[CH](N)C3)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c[nH]c2c1c(ncn2)[N@]3CC[C@H](C3)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c[nH]c2c1c(ncn2)N3CCC(C3)N |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5/c1-7-4-13-10-9(7)11(15-6-14-10)16-3-2-8(12)5-16/h4,6,8H,2-3,5,12H2,1H3,(H,13,14,15)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | SMTIKTZYKPWXQP-MRVPVSSYSA-N |
