N4-(3-pyrrolidin-1-ylpropyl)-N2-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-(3-pyrrolidin-1-ylpropyl)-N2-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(3-pyrrolidin-1-ylpropyl)-N2-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine CAS Name: N4-[3-(1-pyrrolidinyl)propyl]-N2-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-pyrrolidin-1-ylpropyl)-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine Traditional Name: 3-pyrrolidinopropyl-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C18H22F3N5 MolecularWeight: 365.39599

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CCN(C1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H22F3N5/c19-18(20,21)14-5-3-6-15(13-14)24-17-23-9-7-16(25-17)22-8-4-12-26-10-1-2-11-26/h3,5-7,9,13H,1-2,4,8,10-12H2,(H2,22,23,24,25)