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

C11H7F2N3O3 — CID 2288826

IUPAC5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/c2cc(F)cc(F)c2)c(=O)[nH]1
InChIInChI=1S/C11H7F2N3O3/c12-5-1-6(13)3-7(2-5)14-4-8-9(17)15-11(19)16-10(8)18/h1-4H,(H3,15,16,17,18,19)/b14-4+
InChIKeyJLCPJUIELODEGL-LNKIKWGQSA-N
MW267.19 g/mol
LogP0.80
Rot. Bonds2

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

5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 2288826) has the molecular formula C11H7F2N3O3 and a molecular weight of 267.19 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID2288826
Molecular FormulaC11H7F2N3O3
Molecular Weight267.19 g/mol
Exact Mass267.05
IUPAC Name5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/c2cc(F)cc(F)c2)c(=O)[nH]1
InChIInChI=1S/C11H7F2N3O3/c12-5-1-6(13)3-7(2-5)14-4-8-9(17)15-11(19)16-10(8)18/h1-4H,(H3,15,16,17,18,19)/b14-4+
InChIKeyJLCPJUIELODEGL-LNKIKWGQSA-N
XLogP0.80
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-allyl-5-{[(4-fluorophenyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1908935
5-(Anilinomethylene)barbituric acid
CID 2250488
(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
(5Z)-5-[(2E)-3-(phenylamino)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 135450529
5-{1-[(4-fluorophenyl)amino]ethylidene}-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 885507
5-{[(4-fluorophenyl)amino]methylene}-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1905204
5-[(3-Chloro-4-fluoro-phenylamino)-methylene]-pyrimidine-2,4,6-trione
CID 2265472
5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
CID 942324
5-(3-Indolylmethylene)barbituric acid
CID 135400591

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 2288826) is 5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/C=N/c2cc(F)cc(F)c2)c(=O)[nH]1.
What is the InChIKey of 5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is JLCPJUIELODEGL-LNKIKWGQSA-N. The full InChI is InChI=1S/C11H7F2N3O3/c12-5-1-6(13)3-7(2-5)14-4-8-9(17)15-11(19)16-10(8)18/h1-4H,(H3,15,16,17,18,19)/b14-4+.
What are the key properties of 5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 267.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2288826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).