94087-77-1 Purity
96%
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The molecular formula of 5-Hexadecylpyrimidine-2,4,6-triamine is C20H39N5.
The molecular weight of 5-Hexadecylpyrimidine-2,4,6-triamine is 349.6 g/mol.
The IUPAC name of 5-Hexadecylpyrimidine-2,4,6-triamine is 5-hexadecylpyrimidine-2,4,6-triamine.
The InChI of 5-Hexadecylpyrimidine-2,4,6-triamine is InChI=1S/C20H39N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)24-20(23)25-19(17)22/h2-16H2,1H3,(H6,21,22,23,24,25).
The InChIKey of 5-Hexadecylpyrimidine-2,4,6-triamine is GQBIKMHPZBVLEE-UHFFFAOYSA-N.
The canonical SMILES of 5-Hexadecylpyrimidine-2,4,6-triamine is CCCCCCCCCCCCCCCCC1=C(N=C(N=C1N)N).
5-Hexadecylpyrimidine-2,4,6-triamine has 3 hydrogen bond donor counts.
The XLogP3-AA value of 5-Hexadecylpyrimidine-2,4,6-triamine is 7.5.
5-Hexadecylpyrimidine-2,4,6-triamine has 15 rotatable bond counts.
Yes, the compound is canonicalized according to PubChem.