TL;DR: 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-4-methylpentanoic acid (CAS 1009232-16-9) is a chemical compound with molecular formula C12H19N3O2 and molecular weight 237.14772 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylpentanoic acid
Also Known As: N-(4,6-dimethylpyrimidin-2-yl)leucine, 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylpentanoic acid, 2-((4,6-dimethylpyrimidin-2-yl)amino)-4-methylpentanoic acid, 2-(4,6-Dimethyl-pyrimidin-2-ylamino)-4-methyl-pentanoic acid, 2-(4,6-Dimethylpyrimidin-2-ylamino)-4-methyl-pentanoic acid
| Molecular Formula | C12H19N3O2 |
| Molecular Weight | 237.14772 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 75.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.14772 Da |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
| SMILES | CC1=CC(=NC(=N1)NC(CC(C)C)C(=O)O)C |
| InChIKey | FXYIEBKCZUKKES-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-4-methylpentanoic acid. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-4-methylpentanoic acid. Following Lipinski's Rule of Five, 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-4-methylpentanoic acid has 2 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 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-4-methylpentanoic acid is 1009232-16-9.
The molecular formula of 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-4-methylpentanoic acid is C12H19N3O2.
The molecular weight of 2-[(4,6-Dimethylpyrimidin-2-yl)amino]-4-methylpentanoic acid is 237.14772 g/mol.
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