47306-94-5
5-[(6-HYDROXY-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINYL)METHYLENE]-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
Name5-[(6-HYDROXY-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINYL)METHYLENE]-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
1Identification
【Name】
5-[(6-HYDROXY-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINYL)METHYLENE]-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
【CAS】
【MDL】
MFCD00127092
【English Synonyms】
5-[(6-HYDROXY-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINYL)METHYLENE]-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
【Formula】
C13 H14 N4 O6
【MolWeight】
322.276
【Inchi】
InChI=1S/C13H14N4O6/c1-14-8(18)6(9(19)15(2)12(14)22)5-7-10(20)16(3)13(23)17(4)11(7)21/h5,18H,1-4H3
【InChIKey】
InChIKey=OWCWAPPILNWJTL-UHFFFAOYSA-N
【SMILES】
Cn1c(c(c(=O)n(c1=O)C)C=C2C(=O)N(C(=O)N(C2=O)C)C)O
【MOL File】
5-[(6-HYDROXY-1,3-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:10
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(6-HYDROXY-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINYL)METHYLENE]-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE.cml