TL;DR: N~4~-methyl-N~2~-(4-methyl-1,3-thiazol-2-yl)-5-nitro-2,4-pyrimidinediamine (CAS 400081-52-9) is a chemical compound with molecular formula C9H10N6O2S and molecular weight 266.0586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-N-methyl-2-N-(4-methyl-1,3-thiazol-2-yl)-5-nitropyrimidine-2,4-diamine
Also Known As: 4C-024, N~4~-methyl-N~2~-(4-methyl-1,3-thiazol-2-yl)-5-nitro-2,4-pyrimidinediamine, 4-N-methyl-2-N-(4-methyl-1,3-thiazol-2-yl)-5-nitropyrimidine-2,4-diamine, N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-nitro-pyrimidine-2,4-diamine, N4-methyl-N2-(4-methyl-1,3-thiazol-2-yl)-5-nitropyrimidine-2,4-diamine
| Molecular Formula | C9H10N6O2S |
| Molecular Weight | 266.0586 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0586 Da |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
| SMILES | CC1=CSC(=N1)NC2=NC=C(C(=N2)NC)[N+](=O)[O-] |
| InChIKey | UZULVJNQLGZJRU-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~4~-methyl-N~2~-(4-methyl-1,3-thiazol-2-yl)-5-nitro-2,4-pyrimidinediamine. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N~4~-methyl-N~2~-(4-methyl-1,3-thiazol-2-yl)-5-nitro-2,4-pyrimidinediamine. Following Lipinski's Rule of Five, N~4~-methyl-N~2~-(4-methyl-1,3-thiazol-2-yl)-5-nitro-2,4-pyrimidinediamine has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N~4~-methyl-N~2~-(4-methyl-1,3-thiazol-2-yl)-5-nitro-2,4-pyrimidinediamine is 400081-52-9.
The molecular formula of N~4~-methyl-N~2~-(4-methyl-1,3-thiazol-2-yl)-5-nitro-2,4-pyrimidinediamine is C9H10N6O2S.
The molecular weight of N~4~-methyl-N~2~-(4-methyl-1,3-thiazol-2-yl)-5-nitro-2,4-pyrimidinediamine is 266.0586 g/mol.
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