913322-50-6 Purity
96%
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Specification
The molecular formula of the compound is C11H9FIN3.
The synonyms of the compound are 913322-53-9, 4-METHYL-6-(2-IODO-5-FLUOROPHENYL)PYRIMIDIN-2-AMINE, 4-(5-fluoro-2-iodophenyl)-6-methylpyrimidin-2-amine, and DTXSID00699332.
The molecular weight of the compound is 329.11 g/mol.
The IUPAC name of the compound is 4-(5-fluoro-2-iodophenyl)-6-methylpyrimidin-2-amine.
The InChI of the compound is InChI=1S/C11H9FIN3/c1-6-4-10(16-11(14)15-6)8-5-7(12)2-3-9(8)13/h2-5H,1H3,(H2,14,15,16).
The InChIKey of the compound is SCMMMFJBUGMQRH-UHFFFAOYSA-N.
The Canonical SMILES of the compound is CC1=CC(=NC(=N1)N)C2=C(C=CC(=C2)F)I.
The XLogP3-AA value of the compound is 2.7.
There is 1 hydrogen bond donor count in the compound.
There are 4 hydrogen bond acceptor counts in the compound.