TL;DR: n,n'-Dimethyl-5-nitropyrimidine-2,4-diamine (CAS 129580-58-1) is a chemical compound with molecular formula C6H9N5O2 and molecular weight 183.07562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-N,4-N-dimethyl-5-nitropyrimidine-2,4-diamine
Also Known As: n,n'-dimethyl-5-nitropyrimidine-2,4-diamine, 2-N,4-N-dimethyl-5-nitropyrimidine-2,4-diamine, N,N'-dimethyl-5-nitro-pyrimidine-2,4-diamine, N2,N4-dimethyl-5-nitro-2,4-Pyrimidinediamine, N2,N4-dimethyl-5-nitropyrimidine-2,4-diamine
| Molecular Formula | C6H9N5O2 |
| Molecular Weight | 183.07562 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 95.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.07562 Da |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
| SMILES | CNC1=NC(=NC=C1[N+](=O)[O-])NC |
| InChIKey | UVGZZHJGNJMHRB-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n,n'-Dimethyl-5-nitropyrimidine-2,4-diamine. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for n,n'-Dimethyl-5-nitropyrimidine-2,4-diamine. Following Lipinski's Rule of Five, n,n'-Dimethyl-5-nitropyrimidine-2,4-diamine has 2 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 n,n'-Dimethyl-5-nitropyrimidine-2,4-diamine is 129580-58-1.
The molecular formula of n,n'-Dimethyl-5-nitropyrimidine-2,4-diamine is C6H9N5O2.
The molecular weight of n,n'-Dimethyl-5-nitropyrimidine-2,4-diamine is 183.07562 g/mol.
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