6-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
6-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C612-1295 |
| Compound Name: | 6-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 330.34 |
| Molecular Formula: | C16 H18 N4 O4 |
| Smiles: | CN1C2=C(CN(Cc3ccc4c(c3)OCO4)CN2)C(N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1332 |
| logD: | 0.6299 |
| logSw: | -2.2517 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.321 |
| InChI Key: | IQPNHGXWHUTQLQ-UHFFFAOYSA-N |