1-methyl-3,9-bis(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-methyl-3,9-bis(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
1-methyl-3,9-bis(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D389-0822 |
| Compound Name: | 1-methyl-3,9-bis(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C25 H27 N5 O2 |
| Smiles: | CN1C(N(CCc2ccccc2)C(c2c1nc1N(CCCn12)CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.258 |
| logD: | 4.2579 |
| logSw: | -4.2191 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.185 |
| InChI Key: | JTGKGCBCGNNYDU-UHFFFAOYSA-N |