A1PR7
Summary
| Name: | (2R)-1-(dimethylamino)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol |
| Formula: | C12 H19 N5 O |
| Formal charge: | 0 |
| Formula weight: | 249.312 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2R)-1-(dimethylamino)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-1-(dimethylamino)-2-methyl-3-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN(C)CC(C)(O)CNc1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C12H19N5O/c1-12(18,7-17(2)3)6-14-11-9-4-5-13-10(9)15-8-16-11/h4-5,8,18H,6-7H2,1-3H3,(H2,13,14,15,16)/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | WSGWFQGXTQMIMD-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C[C@](C)(O)CNc1ncnc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | CN(C)C[C](C)(O)CNc1ncnc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@](CNc1c2cc[nH]c2ncn1)(CN(C)C)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(CNc1c2cc[nH]c2ncn1)(CN(C)C)O |
