TL;DR: 4-Pyrimidinamine, 6-methyl-2-((1-methylethyl)thio)-N-(phenylmethyl)- (CAS 154496-66-9) is a chemical compound with molecular formula C15H19N3S and molecular weight 273.12997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine
Also Known As: 4-Pyrimidinamine, 6-methyl-2-((1-methylethyl)thio)-N-(phenylmethyl)-, 6-Methyl-2-((1-methylethyl)thio)-N-(phenylmethyl)-4-pyrimidinamine, N-benzyl-6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine, N-Benzyl-2-(isopropylthio)-6-methylpyrimidin-4-amine, N-Benzyl-6-methyl-2-[(propan-2-yl)sulfanyl]pyrimidin-4-amine
| Molecular Formula | C15H19N3S |
| Molecular Weight | 273.12997 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.12997 Da |
| Heavy Atoms | 19 |
| Complexity | 254.0 |
| SMILES | CC1=CC(=NC(=N1)SC(C)C)NCC2=CC=CC=C2 |
| InChIKey | GGWSRDHQTHLTSI-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 4-Pyrimidinamine, 6-methyl-2-((1-methylethyl)thio)-N-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyrimidinamine, 6-methyl-2-((1-methylethyl)thio)-N-(phenylmethyl)-. Following Lipinski's Rule of Five, 4-Pyrimidinamine, 6-methyl-2-((1-methylethyl)thio)-N-(phenylmethyl)- has 1 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, 6-methyl-2-((1-methylethyl)thio)-N-(phenylmethyl)- is 154496-66-9.
The molecular formula of 4-Pyrimidinamine, 6-methyl-2-((1-methylethyl)thio)-N-(phenylmethyl)- is C15H19N3S.
The molecular weight of 4-Pyrimidinamine, 6-methyl-2-((1-methylethyl)thio)-N-(phenylmethyl)- is 273.12997 g/mol.
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