TL;DR: Pyrimidine, 4-chloro-2-methylamino-5-methylthio-6-piperazino- (CAS 55921-71-6) is a chemical compound with molecular formula C10H16ClN5S and molecular weight 273.08148 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-N-methyl-5-methylsulfanyl-6-piperazin-1-ylpyrimidin-2-amine
Also Known As: 1,6-Dihydroxynaphtalene, 4-Chloro-2-methylamino-5-methylthio-6-piperazinopyrimidine, 1-(4-propanoylpiperazin-1-yl)propan-1-one, Pyrimidine, 4-chloro-2-methylamino-5-methylthio-6-piperazino-, 2-Methylamino-4-piperazino-6-chloro-5-methylthio-pyrimidine
| Molecular Formula | C10H16ClN5S |
| Molecular Weight | 273.08148 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.08148 Da |
| Heavy Atoms | 17 |
| Complexity | 239.0 |
| SMILES | CNC1=NC(=C(C(=N1)Cl)SC)N2CCNCC2 |
| InChIKey | ILNSRQWEUTXPPQ-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 4-chloro-2-methylamino-5-methylthio-6-piperazino-. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 4-chloro-2-methylamino-5-methylthio-6-piperazino-. Following Lipinski's Rule of Five, Pyrimidine, 4-chloro-2-methylamino-5-methylthio-6-piperazino- 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 Pyrimidine, 4-chloro-2-methylamino-5-methylthio-6-piperazino- is 55921-71-6.
The molecular formula of Pyrimidine, 4-chloro-2-methylamino-5-methylthio-6-piperazino- is C10H16ClN5S.
The molecular weight of Pyrimidine, 4-chloro-2-methylamino-5-methylthio-6-piperazino- is 273.08148 g/mol.
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