19011-62-2
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 1-PHENYL-5-PROPYL-
Name2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 1-PHENYL-5-PROPYL-
1Identification
【Name】
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 1-PHENYL-5-PROPYL-
【CAS】
【MDL】
MFCD01666263
【English Synonyms】
【Formula】
C13 H14 N2 O3
【MolWeight】
246.265
【Inchi】
InChI=1S/C13H14N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H,14,16,18)
【InChIKey】
InChIKey=RLYZEKMBXUILGY-UHFFFAOYSA-N
【SMILES】
CCCC1C(=O)NC(=O)N(C1=O)c2ccccc2
【MOL File】
2,4,6(1H,3H,5H)-PYRI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 1-PHENYL-5-PROPYL-.cml