TL;DR: Anthranilic acid, N-(6-(2-aminopyrimidinyl))- (CAS 31185-78-1) is a chemical compound with molecular formula C11H10N4O2 and molecular weight 230.08037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-aminopyrimidin-4-yl)amino]benzoic acid
Also Known As: 2-[(2-amino-4-pyrimidinyl)amino]benzoic acid, 2-[(2-aminopyrimidin-4-yl)amino]benzoic acid, N-(6-(2-Aminopyrimidinyl))anthranilic acid, ANTHRANILIC ACID, N-(6-(2-AMINOPYRIMIDINYL))-, 5-25-12-00025 (Beilstein Handbook Reference)
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H10N4O2 |
| Molecular Weight | 230.08037 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.08037 Da |
| Heavy Atoms | 17 |
| Complexity | 274.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)N |
| InChIKey | SOJJTFYDOCVXLS-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anthranilic acid, N-(6-(2-aminopyrimidinyl))-. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Anthranilic acid, N-(6-(2-aminopyrimidinyl))-. Following Lipinski's Rule of Five, Anthranilic acid, N-(6-(2-aminopyrimidinyl))- has 3 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 Anthranilic acid, N-(6-(2-aminopyrimidinyl))- is 31185-78-1.
The molecular formula of Anthranilic acid, N-(6-(2-aminopyrimidinyl))- is C11H10N4O2.
The molecular weight of Anthranilic acid, N-(6-(2-aminopyrimidinyl))- is 230.08037 g/mol.
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