AC1Q1QRH
7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione
Also Known As: Oprea1_236279|Oprea1_243754|BAS 01122561|AG-690/13701536|SR-01000443067-1|7-(2-hydroxy-3-isopropoxypropyl)-3-methyl-8-[(4-methylbenzyl)amino]-3,7-dihydro-1H-purine-2,6-dione|7-(2-hydroxy-3-isopropoxypropyl)-3-methyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione|7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione|7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-[(4-methylbenzyl)amino]-3,7-dihydro-1H-purine-2,6-dione|7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-{[(4-methylphenyl)methyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C20H27N5O4 |
|---|---|
| Molecular Weight | 401.2063 g/mol |
| LogP | 1.12972 |
| Topological Polar Surface Area | 114.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.2063 |
| Monoisotopic Mass | 401.2063 |
| Heavy Atoms | 29 |
| Complexity | 1094.9875 |
Chemical Identifiers
| CAS Number | 313403-93-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC2=NC3=C(N2CC(COC(C)C)O)C(=O)NC(=O)N3C |
Product Overview
AC1Q1QRH (CAS 313403-93-9), with molecular formula C20H27N5O4 and molecular weight 401.2063 g/mol. IUPAC: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione.