TL;DR: 4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine (CAS 103027-81-2) is a chemical compound with molecular formula C10H8ClN5O2 and molecular weight 265.03665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine
Also Known As: 4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine, N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine, N4-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine, AB00358871-02, AB00358871-04
| Molecular Formula | C10H8ClN5O2 |
| Molecular Weight | 265.03665 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.03665 Da |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
| SMILES | C1=CC=C(C(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N)Cl |
| InChIKey | WJAGWCTUOUUFCL-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine is 103027-81-2.
The molecular formula of 4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine is C10H8ClN5O2.
The molecular weight of 4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine is 265.03665 g/mol.
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