AC1N9KDN
5-nitro-4-N-(oxolan-2-ylmethyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
Also Known As: 5-nitro-4-N-(oxolan-2-ylmethyl)-2-N-phenethylpyrimidine-2,4,6-triamine|5-nitro-N4-(oxolan-2-ylmethyl)-N2-phenethyl-pyrimidine-2,4,6-triamine|{6-amino-5-nitro-2-[(2-phenylethyl)amino]pyrimidin-4-yl}(oxolan-2-ylmethyl)ami ne|5-nitro-N~2~-(2-phenylethyl)-N~4~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine|5-nitro-N2-phenethyl-N4-((tetrahydrofuran-2-yl)methyl)pyrimidine-2,4,6-triamine
| Molecular Formula | C17H22N6O3 |
|---|---|
| Molecular Weight | 358.17532 g/mol |
| LogP | 2.2125 |
| Topological Polar Surface Area | 128.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 358.17532 |
| Monoisotopic Mass | 358.17532 |
| Heavy Atoms | 26 |
| Complexity | 749.66345 |
Chemical Identifiers
| CAS Number | 578697-40-2 |
|---|---|
| SMILES | C1CC(OC1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC3=CC=CC=C3 |
Product Overview
AC1N9KDN (CAS 578697-40-2), with molecular formula C17H22N6O3 and molecular weight 358.17532 g/mol. IUPAC: 5-nitro-4-N-(oxolan-2-ylmethyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine.
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