5-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Chemical Structure Depiction of
5-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
5-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Compound characteristics
| Compound ID: | 8018-4613 |
| Compound Name: | 5-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
| Molecular Weight: | 438.4 |
| Molecular Formula: | C20 H18 N6 O6 |
| Smiles: | CN1C(=C(C(NC1=O)=O)c1c2C(NC(N(C)c2[nH]c1c1ccc2c(c1)OCCO2)=O)=O)N |
| Stereo: | ACHIRAL |
| logP: | -0.2514 |
| logD: | -0.2518 |
| logSw: | -2.0294 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 128.308 |
| InChI Key: | YNTPUHLUMHQADL-UHFFFAOYSA-N |