5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

C17H11ClFN3O3 — CID 1379774

IUPAC5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClFN3O3/c18-10-5-7-11(8-6-10)20-9-12-15(23)21-17(25)22(16(12)24)14-4-2-1-3-13(14)19/h1-9,24H,(H,21,23,25)/b20-9+
InChIKeyCFTMHLJTMYKBGD-AWQFTUOYSA-N
MW359.74 g/mol
LogP2.77
Rot. Bonds3

About 5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 1379774) has the molecular formula C17H11ClFN3O3 and a molecular weight of 359.74 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID1379774
Molecular FormulaC17H11ClFN3O3
Molecular Weight359.74 g/mol
Exact Mass359.05
IUPAC Name5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClFN3O3/c18-10-5-7-11(8-6-10)20-9-12-15(23)21-17(25)22(16(12)24)14-4-2-1-3-13(14)19/h1-9,24H,(H,21,23,25)/b20-9+
InChIKeyCFTMHLJTMYKBGD-AWQFTUOYSA-N
XLogP2.77
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(Aminomethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 288290
(5E)-3-(4-chlorophenyl)-5-({[4-(diethylamino)phenyl]amino}methylidene)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1394234
(5Z)-3-(4-fluorophenyl)-5-[(heptylamino)methylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 3818248
(5E)-1-(4-chlorophenyl)-5-[1-(2-piperidin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione
CID 4921749
5-[(3-Chloro-4-fluoro-phenylamino)-methylene]-pyrimidine-2,4,6-trione
CID 2265472
5-[(4-Chloro-phenylamino)-methylene]-1-(4-fluoro-benzyl)-pyrimidine-2,4,6-trione
CID 573388
(5E)-3-(3-chlorophenyl)-6-hydroxy-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1605831
1-(2-chlorobenzyl)-5-{[(4-fluorophenyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1305981
(5E)-5-[[4-(4-acetylpiperazin-1-yl)anilino]methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
CID 1400189
(5Z)-3-(2-chlorophenyl)-6-hydroxy-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1571583
5-(aminomethylene)-1-(3-chlorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1713987
(5E)-3-(4-chlorophenyl)-6-hydroxy-5-{1-[(2-hydroxyethyl)amino]propylidene}pyrimidine-2,4(3H,5H)-dione
CID 3261353

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (CID 1379774) is 5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1/C=N/c1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is CFTMHLJTMYKBGD-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O3/c18-10-5-7-11(8-6-10)20-9-12-15(23)21-17(25)22(16(12)24)14-4-2-1-3-13(14)19/h1-9,24H,(H,21,23,25)/b20-9+.
What are the key properties of 5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 359.74 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 1379774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).