TL;DR: Urea, N-(4,6-dimethoxy-5-pyrimidinyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- (CAS 145131-49-3) is a chemical compound with molecular formula C22H27N5O3 and molecular weight 409.2114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4,6-dimethoxypyrimidin-5-yl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
Also Known As: Urea, N-(4,6-dimethoxy-5-pyrimidinyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)-, N-(4,6-Dimethoxy-5-pyrimidinyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)urea, 1-(4,6-dimethoxypyrimidin-5-yl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea, N-(4,6-Dimethoxypyrimidin-5-yl)-N'-{[1-(1-methyl-1H-indol-3-yl)cyclopentyl]methyl}urea
| Molecular Formula | C22H27N5O3 |
| Molecular Weight | 409.2114 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.2114 Da |
| Heavy Atoms | 30 |
| Complexity | 573.0 |
| SMILES | CN1C=C(C2=CC=CC=C21)C3(CCCC3)CNC(=O)NC4=C(N=CN=C4OC)OC |
| InChIKey | CRXANXZUISAGDD-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that Urea, N-(4,6-dimethoxy-5-pyrimidinyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(4,6-dimethoxy-5-pyrimidinyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)-. Following Lipinski's Rule of Five, Urea, N-(4,6-dimethoxy-5-pyrimidinyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- 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 Urea, N-(4,6-dimethoxy-5-pyrimidinyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- is 145131-49-3.
The molecular formula of Urea, N-(4,6-dimethoxy-5-pyrimidinyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- is C22H27N5O3.
The molecular weight of Urea, N-(4,6-dimethoxy-5-pyrimidinyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- is 409.2114 g/mol.
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