4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
Compound characteristics
Compound ID: | M503-1587 |
Compound Name: | 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide |
Molecular Weight: | 375.43 |
Molecular Formula: | C21 H21 N5 O2 |
Smiles: | COc1ccc(cc1)NC(c1cnc(nc1N)N1CCc2ccccc2C1)=O |
Stereo: | ACHIRAL |
logP: | 2.9124 |
logD: | 2.9116 |
logSw: | -3.564 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 72.704 |
InChI Key: | TXNOBAHSEVJZBD-UHFFFAOYSA-N |