TL;DR: [4-[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol (CAS 122624-77-5) is a chemical compound with molecular formula C10H14ClN5O and molecular weight 255.08868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(2,5-diamino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol
Also Known As: (1S,4R)-4-[(2,5-Diamino-6-chloro-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol, [4-[(2,5-diamino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol, (1S,4R)-rel-4-[(2,5-Diamino-6-chloro-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol, ((1R,4S)-4-((2,5-Diamino-6-chloropyrimidin-4-yl)amino)cyclopent-2-en-1-yl)methanol, (1S-cis)-(+/-)-4-[(2,5-Diamino-6-chloro-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol
| Molecular Formula | C10H14ClN5O |
| Molecular Weight | 255.08868 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.08868 Da |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
| SMILES | C1C(C=CC1NC2=C(C(=NC(=N2)N)Cl)N)CO |
| InChIKey | RNURTQFRFNOOPJ-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol. Following Lipinski's Rule of Five, [4-[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol has 4 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 [4-[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol is 122624-77-5.
The molecular formula of [4-[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol is C10H14ClN5O.
The molecular weight of [4-[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]methanol is 255.08868 g/mol.
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