TL;DR: N2-(4-(dimethylamino)phenyl)quinazoline-2,4-diamine hydrochloride (CAS 1049712-05-1) is a chemical compound with molecular formula C16H18ClN5 and molecular weight 315.12506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride
Also Known As: N-(4-dimethylaminophenyl)quinazoline-2,4-diamine Hydrochloride, 2-N-(4-dimethylaminophenyl)quinazoline-2,4-diamine hydrochloride, N~2~-[4-(dimethylamino)phenyl]-2,4-quinazolinediamine hydrochloride, N2-(4-(dimethylamino)phenyl)quinazoline-2,4-diamine hydrochloride, REGID_for_CID_2972188
| Molecular Formula | C16H18ClN5 |
| Molecular Weight | 315.12506 g/mol |
| XLogP | 3.4434 |
| Topological Polar Surface Area (TPSA) | 67.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.12506 Da |
| Heavy Atoms | 22 |
| Complexity | 327.0 |
| SMILES | CN(C)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)N.Cl |
| InChIKey | QOCBEHHYUJMWGW-UHFFFAOYSA-N |
The XLogP value of 3.4434 indicates that N2-(4-(dimethylamino)phenyl)quinazoline-2,4-diamine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N2-(4-(dimethylamino)phenyl)quinazoline-2,4-diamine hydrochloride. Following Lipinski's Rule of Five, N2-(4-(dimethylamino)phenyl)quinazoline-2,4-diamine hydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N2-(4-(dimethylamino)phenyl)quinazoline-2,4-diamine hydrochloride is 1049712-05-1.
The molecular formula of N2-(4-(dimethylamino)phenyl)quinazoline-2,4-diamine hydrochloride is C16H18ClN5.
The molecular weight of N2-(4-(dimethylamino)phenyl)quinazoline-2,4-diamine hydrochloride is 315.12506 g/mol.
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