AC1MXGRU
9-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: 9-(4-ethylphenyl)-3-(2-fluorobenzyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione|9-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,7-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione|9-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione|9-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,7-dimethyl-1,3,5-trihydro-6H,7H ,8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione
| Molecular Formula | C25H26FN5O2 |
|---|---|
| Molecular Weight | 447.20706 g/mol |
| LogP | 3.4343 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.20706 |
| Monoisotopic Mass | 447.20706 |
| Heavy Atoms | 33 |
| Complexity | 1465.4169 |
Chemical Identifiers
| CAS Number | 844827-63-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC5=CC=CC=C5F)C |
Product Overview
AC1MXGRU (CAS 844827-63-0), with molecular formula C25H26FN5O2 and molecular weight 447.20706 g/mol. IUPAC: 9-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.