5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione

C13H10BrFN2O4 — CID 63778706

IUPAC5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(F)cc1C(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C13H10BrFN2O4/c1-21-11-3-2-7(15)4-8(11)10(18)6-17-5-9(14)12(19)16-13(17)20/h2-5H,6H2,1H3,(H,16,19,20)
InChIKeyPKORKLZAGMFGLP-UHFFFAOYSA-N
MW357.14 g/mol
LogP1.33
Rot. Bonds4

About 5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione

5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 63778706) has the molecular formula C13H10BrFN2O4 and a molecular weight of 357.14 g/mol. Its IUPAC name is 5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID63778706
Molecular FormulaC13H10BrFN2O4
Molecular Weight357.14 g/mol
Exact Mass355.98
IUPAC Name5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(F)cc1C(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C13H10BrFN2O4/c1-21-11-3-2-7(15)4-8(11)10(18)6-17-5-9(14)12(19)16-13(17)20/h2-5H,6H2,1H3,(H,16,19,20)
InChIKeyPKORKLZAGMFGLP-UHFFFAOYSA-N
XLogP1.33
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.14
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63779260
5-ethyl-1-[2-(2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66330111
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one
CID 46484257
1-(5-fluoro-2-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62051168
5-bromo-1-[2-(3,4-dichlorophenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63777443
7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one
CID 47088424
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide
CID 86887522
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43228143
4-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366237
1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63102449
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione (CID 63778706) is 5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione is COc1ccc(F)cc1C(=O)Cn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of 5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is PKORKLZAGMFGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O4/c1-21-11-3-2-7(15)4-8(11)10(18)6-17-5-9(14)12(19)16-13(17)20/h2-5H,6H2,1H3,(H,16,19,20).
What are the key properties of 5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 357.14 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63778706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).