AQ1
Summary
| Name: | 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one |
| Formula: | C13 H14 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 247.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one |
| OpenEye OEToolkits | 2.0.6 | 2-[(2-fluorophenyl)amino]-4-propyl-1~{H}-pyrimidin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2=C(Nc1c(F)cccc1)NC(C=C2CCC)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H14FN3O/c1-2-5-9-8-12(18)17-13(15-9)16-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H2,15,16,17,18) |
| InChIKey | InChI | 1.03 | PKDFHRREPYQILX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC1=CC(=O)NC(=N1)Nc2ccccc2F |
| SMILES | CACTVS | 3.385 | CCCC1=CC(=O)NC(=N1)Nc2ccccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCC1=CC(=O)NC(=N1)Nc2ccccc2F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCC1=CC(=O)NC(=N1)Nc2ccccc2F |
