A1BB0
Summary
| Name: | 4-[(2R)-2-(propan-2-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
| Formula: | C13 H18 N4 |
| Formal charge: | 0 |
| Formula weight: | 230.309 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-[(2R)-2-(propan-2-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
| OpenEye OEToolkits | 3.1.0.0 | 4-[(2~{R})-2-propan-2-ylpyrrolidin-1-yl]-7~{H}-pyrrolo[2,3-d]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)C1CCCN1c1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C13H18N4/c1-9(2)11-4-3-7-17(11)13-10-5-6-14-12(10)15-8-16-13/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,14,15,16)/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | QJSAFBGNBOQAOQ-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H]1CCCN1c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | CC(C)[CH]1CCCN1c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)[C@H]1CCCN1c2c3cc[nH]c3ncn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)C1CCCN1c2c3cc[nH]c3ncn2 |
