1-(2-fluorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione

C15H10FN3O3 — CID 800034

IUPAC1-(2-fluorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1C=C1C=CC=N1
InChIInChI=1S/C15H10FN3O3/c16-11-5-1-2-6-12(11)19-14(21)10(13(20)18-15(19)22)8-9-4-3-7-17-9/h1-8,21H,(H,18,20,22)
InChIKeySZNPFAGTVXNFSG-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.35
Rot. Bonds2

About 1-(2-fluorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione

1-(2-fluorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione (PubChem CID 800034) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
PubChem CID800034
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name1-(2-fluorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1C=C1C=CC=N1
InChIInChI=1S/C15H10FN3O3/c16-11-5-1-2-6-12(11)19-14(21)10(13(20)18-15(19)22)8-9-4-3-7-17-9/h1-8,21H,(H,18,20,22)
InChIKeySZNPFAGTVXNFSG-UHFFFAOYSA-N
XLogP1.35
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
(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-phenyl-1,3-diazinane-2,4,6-trione
CID 135458887
5-(Anilinomethylene)barbituric acid
CID 2250488
5-(Aminomethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 288290
(5Z)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-1,3-diazinane-2,4,6-trione
CID 662574
(E)-1-allyl-5-(1-((4-(dimethylamino)phenyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1405560
6-amino-1-(3-fluorophenyl)pyrimidine-2,4(1H,3H)-dione
CID 1526900
(5Z)-5-[[4-(diethylamino)anilino]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 1967839
(5E)-5-[[4-(diethylamino)anilino]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 3381553

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-fluorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione (CID 800034) is 1-(2-fluorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-fluorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1C=C1C=CC=N1.
What is the InChIKey of 1-(2-fluorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione?
The InChIKey is SZNPFAGTVXNFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-11-5-1-2-6-12(11)19-14(21)10(13(20)18-15(19)22)8-9-4-3-7-17-9/h1-8,21H,(H,18,20,22).
What are the key properties of 1-(2-fluorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione?
1-(2-fluorophenyl)-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione has a molecular weight of 299.26 g/mol, XLogP of 1.35, 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-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 800034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).