XHK
Summary
| Name: | 6-[4-(2-aminoethyl)anilino]-5-chloro-3-methylpyrimidin-4(3H)-one |
| Formula: | C13 H15 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 278.737 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[4-(2-aminoethyl)anilino]-5-chloro-3-methylpyrimidin-4(3H)-one |
| OpenEye OEToolkits | 2.0.7 | 6-[[4-(2-azanylethyl)phenyl]amino]-5-chloranyl-3-methyl-pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClC1=C(N=CN(C)C1=O)Nc1ccc(CCN)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H15ClN4O/c1-18-8-16-12(11(14)13(18)19)17-10-4-2-9(3-5-10)6-7-15/h2-5,8,17H,6-7,15H2,1H3 |
| InChIKey | InChI | 1.06 | SGIPWPOFBZCITE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=NC(=C(Cl)C1=O)Nc2ccc(CCN)cc2 |
| SMILES | CACTVS | 3.385 | CN1C=NC(=C(Cl)C1=O)Nc2ccc(CCN)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=NC(=C(C1=O)Cl)Nc2ccc(cc2)CCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=NC(=C(C1=O)Cl)Nc2ccc(cc2)CCN |
