TL;DR: 4,6-Bis(ethylsulfanyl)pyrimidin-2-amine (CAS 104226-21-3) is a chemical compound with molecular formula C8H13N3S2 and molecular weight 215.05508 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-bis(ethylsulfanyl)pyrimidin-2-amine
Also Known As: 4,6-bis(ethylsulfanyl)pyrimidin-2-amine, 2-Pyrimidinamine,4,6-bis(ethylthio)-, 4,6-bis(ethylthio)-2-pyrimidinamine, 4,6-bis(ethylthio)pyrimidin-2-amine
| Molecular Formula | C8H13N3S2 |
| Molecular Weight | 215.05508 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.05508 Da |
| Heavy Atoms | 13 |
| Complexity | 131.0 |
| SMILES | CCSC1=CC(=NC(=N1)N)SCC |
| InChIKey | IEHTUUOMCXABRK-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Bis(ethylsulfanyl)pyrimidin-2-amine. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Bis(ethylsulfanyl)pyrimidin-2-amine. Following Lipinski's Rule of Five, 4,6-Bis(ethylsulfanyl)pyrimidin-2-amine has 1 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 4,6-Bis(ethylsulfanyl)pyrimidin-2-amine is 104226-21-3.
The molecular formula of 4,6-Bis(ethylsulfanyl)pyrimidin-2-amine is C8H13N3S2.
The molecular weight of 4,6-Bis(ethylsulfanyl)pyrimidin-2-amine is 215.05508 g/mol.
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