TL;DR: 4-Amino-5-bromo-7-(2-hydroxyethoxymethyl)pyrrolo(2,3-d)pyrimidine (CAS 115093-88-4) is a chemical compound with molecular formula C9H11BrN4O2 and molecular weight 286.00653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
Also Known As: Abhempp, 5-Bromo acyclic tubercidin, 4-Amino-5-bromo-7-(2-hydroxyethoxymethyl)pyrrolo(2,3-d)pyrimidine, 2-[(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol, 3-[4-(trifluoromethyl)phenyl]prop-2-enamide
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H11BrN4O2 |
| Molecular Weight | 286.00653 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 86.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.00653 Da |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
| SMILES | C1=C(C2=C(N=CN=C2N1COCCO)N)Br |
| InChIKey | RMOPBCMNPLURLP-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-bromo-7-(2-hydroxyethoxymethyl)pyrrolo(2,3-d)pyrimidine. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-bromo-7-(2-hydroxyethoxymethyl)pyrrolo(2,3-d)pyrimidine. Following Lipinski's Rule of Five, 4-Amino-5-bromo-7-(2-hydroxyethoxymethyl)pyrrolo(2,3-d)pyrimidine 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 4-Amino-5-bromo-7-(2-hydroxyethoxymethyl)pyrrolo(2,3-d)pyrimidine is 115093-88-4.
The molecular formula of 4-Amino-5-bromo-7-(2-hydroxyethoxymethyl)pyrrolo(2,3-d)pyrimidine is C9H11BrN4O2.
The molecular weight of 4-Amino-5-bromo-7-(2-hydroxyethoxymethyl)pyrrolo(2,3-d)pyrimidine is 286.00653 g/mol.
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