5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione

C13H10F2N2O3 — CID 63557987

IUPAC5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione
SMILESO=C(CCn1cc(F)c(=O)[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C13H10F2N2O3/c14-9-3-1-8(2-4-9)11(18)5-6-17-7-10(15)12(19)16-13(17)20/h1-4,7H,5-6H2,(H,16,19,20)
InChIKeyCRROKLRUEBRCIN-UHFFFAOYSA-N
MW280.23 g/mol
LogP1.09
Rot. Bonds4

About 5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione

5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 63557987) has the molecular formula C13H10F2N2O3 and a molecular weight of 280.23 g/mol. Its IUPAC name is 5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID63557987
Molecular FormulaC13H10F2N2O3
Molecular Weight280.23 g/mol
Exact Mass280.07
IUPAC Name5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione
SMILESO=C(CCn1cc(F)c(=O)[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C13H10F2N2O3/c14-9-3-1-8(2-4-9)11(18)5-6-17-7-10(15)12(19)16-13(17)20/h1-4,7H,5-6H2,(H,16,19,20)
InChIKeyCRROKLRUEBRCIN-UHFFFAOYSA-N
XLogP1.09
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-oxo-2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]pyrimidine-2,4-dione
CID 172965199
4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanethioamide
CID 63559003
4-[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]benzenecarbothioamide
CID 63556402
ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
CID 14551426
1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
CID 172965222
5-fluoro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63558385
(5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea
CID 70581549
1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one
CID 143425472
2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]phenyl]acetic acid
CID 115461186
N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63558377

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione (CID 63557987) is 5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione is O=C(CCn1cc(F)c(=O)[nH]c1=O)c1ccc(F)cc1.
What is the InChIKey of 5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is CRROKLRUEBRCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O3/c14-9-3-1-8(2-4-9)11(18)5-6-17-7-10(15)12(19)16-13(17)20/h1-4,7H,5-6H2,(H,16,19,20).
What are the key properties of 5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione?
5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 280.23 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63557987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).