A1CZZ
Summary
| Name: | N~2~-methyl-N~4~-{(5P)-5-(1-methyl-1H-pyrazol-4-yl)-4-[(propan-2-yl)oxy]pyridin-2-yl}pyrimidine-2,4-diamine |
| Formula: | C17 H21 N7 O |
| Formal charge: | 0 |
| Formula weight: | 339.395 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N~2~-methyl-N~4~-{(5P)-5-(1-methyl-1H-pyrazol-4-yl)-4-[(propan-2-yl)oxy]pyridin-2-yl}pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}2-methyl-~{N}4-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-pyridin-2-yl]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cn1cc(cn1)c1cnc(Nc2ccnc(NC)n2)cc1OC(C)C |
| InChI | InChI | 1.06 | InChI=1S/C17H21N7O/c1-11(2)25-14-7-16(22-15-5-6-19-17(18-3)23-15)20-9-13(14)12-8-21-24(4)10-12/h5-11H,1-4H3,(H2,18,19,20,22,23) |
| InChIKey | InChI | 1.06 | WFXKRZUINNMXEP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nccc(Nc2cc(OC(C)C)c(cn2)c3cnn(C)c3)n1 |
| SMILES | CACTVS | 3.385 | CNc1nccc(Nc2cc(OC(C)C)c(cn2)c3cnn(C)c3)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)Oc1cc(ncc1c2cnn(c2)C)Nc3ccnc(n3)NC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)Oc1cc(ncc1c2cnn(c2)C)Nc3ccnc(n3)NC |
