AC1NKK7H
1-[(2-fluorophenyl)methyl]-8-[2-hydroxyethyl(methyl)amino]-3,7-dimethylpurine-2,6-dione
Also Known As: NCGC00309981-01|AB01303643-01|1-(2-fluorobenzyl)-8-[(2-hydroxyethyl)(methyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione|1-[(2-fluorophenyl)methyl]-8-(2-hydroxyethyl-methyl-amino)-3,7-dimethyl-purine-2,6-dione|1-[(2-fluorophenyl)methyl]-8-[2-hydroxyethyl(methyl)amino]-3,7-dimethylpurine-2,6-dione|1-(2-fluorobenzyl)-8-((2-hydroxyethyl)(methyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H20FN5O3 |
|---|---|
| Molecular Weight | 361.15503 g/mol |
| LogP | 0.0496 |
| Topological Polar Surface Area | 85.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.15503 |
| Monoisotopic Mass | 361.15503 |
| Heavy Atoms | 26 |
| Complexity | 1082.4175 |
Chemical Identifiers
| CAS Number | 577698-66-9 |
|---|---|
| SMILES | CN1C2=C(N=C1N(C)CCO)N(C(=O)N(C2=O)CC3=CC=CC=C3F)C |
Product Overview
AC1NKK7H (CAS 577698-66-9), with molecular formula C17H20FN5O3 and molecular weight 361.15503 g/mol. IUPAC: 1-[(2-fluorophenyl)methyl]-8-[2-hydroxyethyl(methyl)amino]-3,7-dimethylpurine-2,6-dione.
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