5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

C21H16FN3O3 — CID 1308804

IUPAC5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCc1cccc2c1N=CC2=Cc1c(O)n(-c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H16FN3O3/c1-2-12-4-3-5-16-13(11-23-18(12)16)10-17-19(26)24-21(28)25(20(17)27)15-8-6-14(22)7-9-15/h3-11,27H,2H2,1H3,(H,24,26,28)
InChIKeyUYPXWRJJGBRQPU-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.19
Rot. Bonds3

About 5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 1308804) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID1308804
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCc1cccc2c1N=CC2=Cc1c(O)n(-c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H16FN3O3/c1-2-12-4-3-5-16-13(11-23-18(12)16)10-17-19(26)24-21(28)25(20(17)27)15-8-6-14(22)7-9-15/h3-11,27H,2H2,1H3,(H,24,26,28)
InChIKeyUYPXWRJJGBRQPU-UHFFFAOYSA-N
XLogP3.19
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5E)-1-(4-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135469945
(5Z)-5-(1H-indol-3-ylmethylidene)-1-(naphthalen-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 135438774
(5Z)-5-(1H-indol-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
CID 135458887
(5Z)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(naphthalen-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 658998
5-[[4-(Diethylamino)anilino]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 659624
5-[3-(Diethylamino)propyliminomethyl]-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 665243
(5Z)-5-({[2-(diethylamino)ethyl]amino}methylidene)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1607570
5-[(butylamino)methylene]-1-mesityl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2840327
5-[[4-(Diethylamino)anilino]methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione
CID 3368525
(5Z)-3-(4-fluorophenyl)-5-[(heptylamino)methylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 3818248
5-(1H-Indol-3-ylmethylene)-2-thioxo-1,3-di-o-tolyl-dihydro-pyrimidine-4,6-dione
CID 135421580
6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(2-phenylphenyl)pyrimidine-2,4-dione
CID 136152923

Frequently Asked Questions

What is the IUPAC name of 5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (CID 1308804) is 5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is CCc1cccc2c1N=CC2=Cc1c(O)n(-c2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is UYPXWRJJGBRQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-2-12-4-3-5-16-13(11-23-18(12)16)10-17-19(26)24-21(28)25(20(17)27)15-8-6-14(22)7-9-15/h3-11,27H,2H2,1H3,(H,24,26,28).
What are the key properties of 5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 377.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-ethylindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 1308804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).