A1DXW
Summary
| Name: | 2-[(2R)-1-(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol |
| Formula: | C13 H19 N5 O |
| Formal charge: | 0 |
| Formula weight: | 261.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-[(2R)-1-(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol |
| OpenEye OEToolkits | 3.1.0.0 | 2-[(2~{R})-1-(2-azanyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)(O)C1CCCN1c1nc(N)nc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C13H19N5O/c1-13(2,19)9-4-3-7-18(9)11-8-5-6-15-10(8)16-12(14)17-11/h5-6,9,19H,3-4,7H2,1-2H3,(H3,14,15,16,17)/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | QCZZNBZBGUOYSK-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)[C@H]1CCCN1c2nc(N)nc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | CC(C)(O)[CH]1CCCN1c2nc(N)nc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)([C@H]1CCCN1c2c3cc[nH]c3nc(n2)N)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C1CCCN1c2c3cc[nH]c3nc(n2)N)O |
