1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione

C19H12FN3O3 — CID 135451179

IUPAC1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C19H12FN3O3/c20-14-6-2-4-8-16(14)23-18(25)13(17(24)22-19(23)26)9-11-10-21-15-7-3-1-5-12(11)15/h1-10,25H,(H,22,24,26)/b11-9+
InChIKeyNVBAPBSQOOUOPA-PKNBQFBNSA-N
MW349.32 g/mol
LogP2.63
Rot. Bonds2

About 1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione

1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione (PubChem CID 135451179) has the molecular formula C19H12FN3O3 and a molecular weight of 349.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
PubChem CID135451179
Molecular FormulaC19H12FN3O3
Molecular Weight349.32 g/mol
Exact Mass349.09
IUPAC Name1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C19H12FN3O3/c20-14-6-2-4-8-16(14)23-18(25)13(17(24)22-19(23)26)9-11-10-21-15-7-3-1-5-12(11)15/h1-10,25H,(H,22,24,26)/b11-9+
InChIKeyNVBAPBSQOOUOPA-PKNBQFBNSA-N
XLogP2.63
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.63
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
5-(Aminomethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 288290
(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
6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 3237685
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione (CID 135451179) is 1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1/C=C1\C=Nc2ccccc21.
What is the InChIKey of 1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
The InChIKey is NVBAPBSQOOUOPA-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H12FN3O3/c20-14-6-2-4-8-16(14)23-18(25)13(17(24)22-19(23)26)9-11-10-21-15-7-3-1-5-12(11)15/h1-10,25H,(H,22,24,26)/b11-9+.
What are the key properties of 1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione has a molecular weight of 349.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135451179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).