5-(3-methylphenyl)-N-(2-phenylpropyl)-4-pyridin-4-yl-pyrimidin-2-amine; propan-2-amine; hydrochloride

Systemtic Name: 5-(3-methylphenyl)-N-(2-phenylpropyl)-4-pyridin-4-yl-pyrimidin-2-amine; propan-2-amine; hydrochloride Openeye Name: 5-(m-tolyl)-N-(2-phenylpropyl)-4-(4-pyridyl)pyrimidin-2-amine; propan-2-amine; hydrochloride CAS Name: 5-(3-methylphenyl)-N-(2-phenylpropyl)-4-pyridin-4-yl-2-pyrimidinamine; 2-propanamine; hydrochloride IUPAC Name: 5-(3-methylphenyl)-N-(2-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine; propan-2-amine; hydrochloride Traditional Name: isopropylamine; [5-(m-tolyl)-4-(4-pyridyl)pyrimidin-2-yl]-(2-phenylpropyl)amine; hydrochloride Formula: C28H34ClN5 MolecularWeight: 476.05606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3=CC=NC=C3)NCC(C)C4=CC=CC=C4.CC(C)N.Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2C3=CC=NC=C3)NCC(C)C4=CC=CC=C4.CC(C)N.Cl

InChI

InChI=1S/C25H24N4.C3H9N.ClH/c1-18-7-6-10-22(15-18)23-17-28-25(29-24(23)21-11-13-26-14-12-21)27-16-19(2)20-8-4-3-5-9-20;1-3(2)4;/h3-15,17,19H,16H2,1-2H3,(H,27,28,29);3H,4H2,1-2H3;1H