TL;DR: 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]sulfanylacetic Acid (CAS 15937-51-6) is a chemical compound with molecular formula C12H10ClN3O2S and molecular weight 295.01822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]sulfanylacetic acid
Also Known As: 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]sulfanylacetic Acid, 2-[[2-Amino-5-(4-chlorophenyl)pyrimidin-4-yl]sulfanyl]acetic acid, {[2-amino-5-(4-chlorophenyl)-4-pyrimidinyl]thio}acetic acid, 2-((2-Amino-5-(4-chlorophenyl)pyrimidin-4-yl)thio)acetic Acid
| Molecular Formula | C12H10ClN3O2S |
| Molecular Weight | 295.01822 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.01822 Da |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
| SMILES | C1=CC(=CC=C1C2=CN=C(N=C2SCC(=O)O)N)Cl |
| InChIKey | MEYVVTRSYRLAHX-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]sulfanylacetic Acid. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]sulfanylacetic Acid. Following Lipinski's Rule of Five, 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]sulfanylacetic Acid 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 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]sulfanylacetic Acid is 15937-51-6.
The molecular formula of 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]sulfanylacetic Acid is C12H10ClN3O2S.
The molecular weight of 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]sulfanylacetic Acid is 295.01822 g/mol.
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