913322-54-0 Purity
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Specification
The molecular formula is C12H11Cl2N3.
The molecular weight is 268.14 g/mol.
The IUPAC name is 4-(3,4-dichlorophenyl)-5,6-dimethylpyrimidin-2-amine.
The InChI is InChI=1S/C12H11Cl2N3/c1-6-7(2)16-12(15)17-11(6)8-3-4-9(13)10(14)5-8/h3-5H,1-2H3,(H2,15,16,17).
The InChIKey is AQWVVCRVFXUGDM-UHFFFAOYSA-N.
The Canonical SMILES is CC1=C(N=C(N=C1C2=CC(=C(C=C2)Cl)Cl)N)C.
The XLogP3-AA value is 3.5.
The compound has 1 hydrogen bond donor count.
The compound has 3 hydrogen bond acceptor counts.
The compound has 1 rotatable bond count.