TL;DR: N4-(3-(diethylamino)propyl)-5-nitropyrimidine-4,6-diamine (CAS 102878-49-9) is a chemical compound with molecular formula C11H20N6O2 and molecular weight 268.16476 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-N-[3-(diethylamino)propyl]-5-nitropyrimidine-4,6-diamine
Also Known As: N4-(3-(diethylamino)propyl)-5-nitropyrimidine-4,6-diamine, 4-N-[3-(diethylamino)propyl]-5-nitropyrimidine-4,6-diamine, AB00668211-01, N4-[3-(diethylamino)propyl]-5-nitropyrimidine-4,6-diamine, F0543-0021
| Molecular Formula | C11H20N6O2 |
| Molecular Weight | 268.16476 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 268.16476 Da |
| Heavy Atoms | 19 |
| Complexity | 268.0 |
| SMILES | CCN(CC)CCCNC1=NC=NC(=C1[N+](=O)[O-])N |
| InChIKey | SXKFWFMYYYHTMY-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-(3-(diethylamino)propyl)-5-nitropyrimidine-4,6-diamine. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-(3-(diethylamino)propyl)-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, N4-(3-(diethylamino)propyl)-5-nitropyrimidine-4,6-diamine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N4-(3-(diethylamino)propyl)-5-nitropyrimidine-4,6-diamine is 102878-49-9.
The molecular formula of N4-(3-(diethylamino)propyl)-5-nitropyrimidine-4,6-diamine is C11H20N6O2.
The molecular weight of N4-(3-(diethylamino)propyl)-5-nitropyrimidine-4,6-diamine is 268.16476 g/mol.
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