5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C13H11F2N3O3 — CID 2823218

IUPAC5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccc(F)cc2F)c(=O)n(C)c1=O
InChIInChI=1S/C13H11F2N3O3/c1-17-11(19)8(12(20)18(2)13(17)21)6-16-10-4-3-7(14)5-9(10)15/h3-6,19H,1-2H3/b16-6+
InChIKeyQZBNYDZVGXJVIE-OMCISZLKSA-N
MW295.25 g/mol
LogP0.82
Rot. Bonds2

About 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2823218) has the molecular formula C13H11F2N3O3 and a molecular weight of 295.25 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2823218
Molecular FormulaC13H11F2N3O3
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC Name5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccc(F)cc2F)c(=O)n(C)c1=O
InChIInChI=1S/C13H11F2N3O3/c1-17-11(19)8(12(20)18(2)13(17)21)6-16-10-4-3-7(14)5-9(10)15/h3-6,19H,1-2H3/b16-6+
InChIKeyQZBNYDZVGXJVIE-OMCISZLKSA-N
XLogP0.82
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(Anilinomethylene)-1,3-dimethylbarbituric acid
CID 2320102
5-[(4-Diethylamino-phenylamino)-methylene]-pyrimidine-2,4,6-trione
CID 352290
1,3-Dimethyl-5-[1-(3-trifluoromethyl-phenylamino)-propylidene]-pyrimidine-2,4,6-trione
CID 1403133
1-allyl-5-{[(4-fluorophenyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1908935
1,3-dimethyl-5-{[3-(trifluoromethyl)anilino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2308729
5-{[(4-bromophenyl)amino]methylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 2369567
6-[(4-Fluoroanilino)methylidene]-1,3,8-trimethyl-1,2,3,4,5,6,7,8-octahydropyrido[2,3-d]pyrimidine-2,4,5,7-tetraone
CID 135454261
5-(Anilinomethylene)barbituric acid
CID 2250488
methyl 6-hydroxy-1,3-dimethyl-2,4-dioxo-N-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbimidothioate
CID 660104
(5E)-5-[[4-(diethylamino)anilino]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 3381553
(5Z)-3-(4-fluorophenyl)-5-[(heptylamino)methylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 3818248
(5E)-3-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(3-fluorophenyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 4872193

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 2823218) is 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(/C=N/c2ccc(F)cc2F)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QZBNYDZVGXJVIE-OMCISZLKSA-N. The full InChI is InChI=1S/C13H11F2N3O3/c1-17-11(19)8(12(20)18(2)13(17)21)6-16-10-4-3-7(14)5-9(10)15/h3-6,19H,1-2H3/b16-6+.
What are the key properties of 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 295.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2823218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).