CAS
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Specification
The molecular formula is C13H15N3O2.
The molecular weight is 245.28 g/mol.
The IUPAC name is 6-amino-1-benzyl-3-ethylpyrimidine-2,4-dione.
The InChI is InChI=1S/C13H15N3O2/c1-2-15-12(17)8-11(14)16(13(15)18)9-10-6-4-3-5-7-10/h3-8H,2,9,14H2,1H3.
The InChIKey is IXGULWUJEXSUBL-UHFFFAOYSA-N.
The canonical SMILES is CCN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2)N.
The XLogP3-AA value is 0.8.
It has 1 hydrogen bond donor count.
It has 3 hydrogen bond acceptor counts.
It has 3 rotatable bond counts.