AC1MDXMW
7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Also Known As: Oprea1_227944|7-[beta-Hydroxy-gamma-(diisobutylamino)propyl]theophyline|7-[3-[Bis(2-methylpropyl)amino]-2-hydroxypropyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione|7-{3-[bis(2-methylpropyl)amino]-2-hydroxypropyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione|3,7-Dihydro-1,3-dimethyl-7-[beta-hydroxy-gamma-(diisobutylamino)propyl]-1H-purine-2,6-dione|7-(3-(Bis(2-methylpropyl)amino)-2-hydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione|7-{3-[Bis(2-methylpropyl)amino]-2-hydroxypropyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H31N5O3 |
|---|---|
| Molecular Weight | 365.24268 g/mol |
| LogP | 0.4086 |
| Topological Polar Surface Area | 85.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.24268 |
| Monoisotopic Mass | 365.24268 |
| Heavy Atoms | 26 |
| Complexity | 852.0593 |
Chemical Identifiers
| CAS Number | 7059-75-8 |
|---|---|
| SMILES | CC(C)CN(CC(C)C)CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O |
Product Overview
AC1MDXMW (CAS 7059-75-8), with molecular formula C18H31N5O3 and molecular weight 365.24268 g/mol. IUPAC: 7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione.