N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine
| Internal ID | 84abcd0b-c472-4b8a-870f-7783c6c4d4cf |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Amines > Tertiary amines > Tertiary alkylarylamines > Dialkylarylamines |
| IUPAC Name | N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine |
| SMILES (Canonical) | CN(C)CCN(CC1=CC=C(C=C1)Cl)C2=NC=CC=N2 |
| SMILES (Isomeric) | CN(C)CCN(CC1=CC=C(C=C1)Cl)C2=NC=CC=N2 |
| InChI | InChI=1S/C15H19ClN4/c1-19(2)10-11-20(15-17-8-3-9-18-15)12-13-4-6-14(16)7-5-13/h3-9H,10-12H2,1-2H3 |
| InChI Key | PALIVARNCODQMJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H19ClN4 |
| Molecular Weight | 290.79 g/mol |
| Exact Mass | 290.1298243 g/mol |
| Topological Polar Surface Area (TPSA) | 32.30 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine](https://plantaedb.com/storage/docs/compounds/2023/11/n-4-chlorophenylmethyl-nn-dimethyl-n-pyrimidin-2-ylethane-12-diamine.jpg "2D Structure of N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.90% | 94.73% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 94.38% | 93.10% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 94.15% | 90.24% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.66% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.85% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.31% | 95.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.70% | 94.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 88.72% | 100.00% |
| CHEMBL1952 | P04818 | Thymidylate synthase | 88.52% | 93.53% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.84% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.95% | 86.33% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 86.76% | 93.81% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.01% | 96.67% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.66% | 90.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.70% | 90.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.05% | 92.97% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Annona squamosa |
| PubChem | 16207071 |
| LOTUS | LTS0141300 |
| wikiData | Q105204594 |