TL;DR: 1,3,5-Triazine-2,4-diamine, 1-(3-chlorophenyl)-1,6-dihydro-6,6-dimethyl- (CAS 13351-02-5) is a chemical compound with molecular formula C11H14ClN5 and molecular weight 251.09378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Also Known As: TRIAZINE DERIVITIVE, D 69, X 48, 1-(3-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine, NCI60_002634
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H14ClN5 |
| Molecular Weight | 251.09378 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.09378 Da |
| Heavy Atoms | 17 |
| Complexity | 363.0 |
| SMILES | CC1(N=C(N=C(N1C2=CC(=CC=C2)Cl)N)N)C |
| InChIKey | AXIUXECRTOGILY-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Triazine-2,4-diamine, 1-(3-chlorophenyl)-1,6-dihydro-6,6-dimethyl-. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Triazine-2,4-diamine, 1-(3-chlorophenyl)-1,6-dihydro-6,6-dimethyl-. Following Lipinski's Rule of Five, 1,3,5-Triazine-2,4-diamine, 1-(3-chlorophenyl)-1,6-dihydro-6,6-dimethyl- has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3,5-Triazine-2,4-diamine, 1-(3-chlorophenyl)-1,6-dihydro-6,6-dimethyl- is 13351-02-5.
The molecular formula of 1,3,5-Triazine-2,4-diamine, 1-(3-chlorophenyl)-1,6-dihydro-6,6-dimethyl- is C11H14ClN5.
The molecular weight of 1,3,5-Triazine-2,4-diamine, 1-(3-chlorophenyl)-1,6-dihydro-6,6-dimethyl- is 251.09378 g/mol.
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