5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol
6-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: CBMicro_029078|Oprea1_107632|Oprea1_314756|BAS 00404020|BIM-0029109.P001|5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol|5-(4-isobutoxybenzyl)-2-mercapto-4,6-pyrimidinediol|AG-690/09293014|5-(4-isobutoxybenzyl)-2-mercaptopyrimidine-4,6-diol|5-(4-isobutoxybenzyl)-2-sulfanylpyrimidine-4,6-diol|5-[4-(2-methylpropoxy)benzyl]-2-sulfanylpyrimidine-4,6-diol|6-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one|6-Hydroxy-5-{[4-(2-methylpropoxy)phenyl]methyl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C15H18N2O3S |
|---|---|
| Molecular Weight | 306.10382 g/mol |
| LogP | 2.76369 |
| Topological Polar Surface Area | 78.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.10382 |
| Monoisotopic Mass | 306.10382 |
| Heavy Atoms | 21 |
| Complexity | 716.93396 |
Chemical Identifiers
| CAS Number | 57737-29-8 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)CC2=C(NC(=S)NC2=O)O |
Product Overview
5-(4-Isobutoxy-benzyl)-2-mercapto-pyrimidine-4,6-diol (CAS 57737-29-8), with molecular formula C15H18N2O3S and molecular weight 306.10382 g/mol. IUPAC: 6-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one.