7-methyl-1-[(pyridin-2-yl)methyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-methyl-1-[(pyridin-2-yl)methyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
7-methyl-1-[(pyridin-2-yl)methyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
Compound ID: | 7591-0305 |
Compound Name: | 7-methyl-1-[(pyridin-2-yl)methyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
Molecular Weight: | 407.27 |
Molecular Formula: | C15 H11 F6 N5 O2 |
Smiles: | CC1NC2=C(C(NC(N2Cc2ccccn2)=O)=O)C(C(F)(F)F)(C(F)(F)F)N=1 |
Stereo: | ACHIRAL |
logP: | 1.82 |
logD: | 1.82 |
logSw: | -2.3179 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.826 |
InChI Key: | MBDGJUWPCPEIHN-UHFFFAOYSA-N |