5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione

C20H15FN2O3 — CID 172965199

IUPAC5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1cc(F)c(=O)[nH]c1=O)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H15FN2O3/c21-17-12-23(20(26)22-19(17)25)13-18(24)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,25,26)/b7-6+
InChIKeyAUBYVVRDNFCMMP-VOTSOKGWSA-N
MW350.35 g/mol
LogP2.73
Rot. Bonds5

About 5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione

5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione (PubChem CID 172965199) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione
PubChem CID172965199
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1cc(F)c(=O)[nH]c1=O)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H15FN2O3/c21-17-12-23(20(26)22-19(17)25)13-18(24)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,25,26)/b7-6+
InChIKeyAUBYVVRDNFCMMP-VOTSOKGWSA-N
XLogP2.73
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734863
5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 55027813
5-fluoro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63558385
5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione
CID 55219097
1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
CID 172965222
5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione
CID 63557987
3-[3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 78945069
2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]phenyl]acetic acid
CID 115461186
5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734699
3-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 78945067
1-benzyl-5-fluoropyrimidine-2,4-dione;silver
CID 88760858
methyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 637881

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione (CID 172965199) is 5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione is O=C(Cn1cc(F)c(=O)[nH]c1=O)c1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione?
The InChIKey is AUBYVVRDNFCMMP-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H15FN2O3/c21-17-12-23(20(26)22-19(17)25)13-18(24)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,25,26)/b7-6+.
What are the key properties of 5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione?
5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione has a molecular weight of 350.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[2-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 172965199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).