A1BCC
Summary
| Name: | 2-methyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol |
| Formula: | C10 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 206.244 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-methyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | 2-methyl-2-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)(CO)Nc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C10H14N4O/c1-10(2,5-15)14-9-7-3-4-11-8(7)12-6-13-9/h3-4,6,15H,5H2,1-2H3,(H2,11,12,13,14) |
| InChIKey | InChI | 1.06 | KMRBIQNMECSXEV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(CO)Nc1ncnc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | CC(C)(CO)Nc1ncnc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)(CO)Nc1c2cc[nH]c2ncn1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(CO)Nc1c2cc[nH]c2ncn1 |
