9056-32-0 Purity
95%
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Specification
The molecular formula of the compound is C18H16N4O2.
The synonyms for the compound are 917392-54-2, Methyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate, 4-METHYL-3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]BENZOIC ACID METHYL ESTER, HKX2YWY42Y, methyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate.
The molecular weight of the compound is 320.3 g/mol.
The compound was created on November 14, 2007, and last modified on October 21, 2023.
The IUPAC name of the compound is methyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate.
The InChI of the compound is InChI=1S/C18H16N4O2/c1-12-5-6-13(17(23)24-2)10-16(12)22-18-20-9-7-15(21-18)14-4-3-8-19-11-14/h3-11H,1-2H3,(H,20,21,22).
The InChIKey of the compound is BECBKQYLJDEVDN-UHFFFAOYSA-N.
The Canonical SMILES of the compound is CC1=C(C=C(C=C1)C(=O)OC)NC2=NC=CC(=N2)C3=CN=CC=C3.
The CAS number of the compound is 917392-54-2.
The XLogP3-AA value of the compound is 2.9.