TL;DR: 4-Pyrimidinamine, 2-((1-methylethyl)thio)-N,N,6-trimethyl- (CAS 154496-63-6) is a chemical compound with molecular formula C10H17N3S and molecular weight 211.11432 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine
Also Known As: 4-Pyrimidinamine, 2-((1-methylethyl)thio)-N,N,6-trimethyl-, 2-((1-Methylethyl)thio)-N,N,6-trimethyl-4-pyrimidinamine, N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine, N,N,6-Trimethyl-2-[(propan-2-yl)sulfanyl]pyrimidin-4-amine
| Molecular Formula | C10H17N3S |
| Molecular Weight | 211.11432 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 54.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.11432 Da |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
| SMILES | CC1=CC(=NC(=N1)SC(C)C)N(C)C |
| InChIKey | SVGPWEJFRMEERM-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyrimidinamine, 2-((1-methylethyl)thio)-N,N,6-trimethyl-. With a topological polar surface area (TPSA) of 54.3 Ų, 4-Pyrimidinamine, 2-((1-methylethyl)thio)-N,N,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyrimidinamine, 2-((1-methylethyl)thio)-N,N,6-trimethyl- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Pyrimidinamine, 2-((1-methylethyl)thio)-N,N,6-trimethyl- is 154496-63-6.
The molecular formula of 4-Pyrimidinamine, 2-((1-methylethyl)thio)-N,N,6-trimethyl- is C10H17N3S.
The molecular weight of 4-Pyrimidinamine, 2-((1-methylethyl)thio)-N,N,6-trimethyl- is 211.11432 g/mol.
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