A1A8F
Summary
| Name: | [(2R)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol |
| Formula: | C14 H20 N4 O |
| Formal charge: | 0 |
| Formula weight: | 260.335 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [(2R)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol |
| OpenEye OEToolkits | 3.1.0.0 | [(2~{R})-5,5-dimethyl-1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCC1CCC(C)(C)CN1c1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C14H20N4O/c1-14(2)5-3-10(7-19)18(8-14)13-11-4-6-15-12(11)16-9-17-13/h4,6,9-10,19H,3,5,7-8H2,1-2H3,(H,15,16,17)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | KDELXGRWNSVRHC-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CC[C@H](CO)N(C1)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | CC1(C)CC[CH](CO)N(C1)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC1(CC[C@@H](N(C1)c2c3cc[nH]c3ncn2)CO)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1(CCC(N(C1)c2c3cc[nH]c3ncn2)CO)C |
