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

C14H13BrN2O4 — CID 63779260

IUPAC5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCOc1ccccc1C(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C14H13BrN2O4/c1-2-21-12-6-4-3-5-9(12)11(18)8-17-7-10(15)13(19)16-14(17)20/h3-7H,2,8H2,1H3,(H,16,19,20)
InChIKeyYQZXNVYTVYBJMN-UHFFFAOYSA-N
MW353.17 g/mol
LogP1.58
Rot. Bonds5

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

5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 63779260) has the molecular formula C14H13BrN2O4 and a molecular weight of 353.17 g/mol. Its IUPAC name is 5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID63779260
Molecular FormulaC14H13BrN2O4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Name5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCOc1ccccc1C(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C14H13BrN2O4/c1-2-21-12-6-4-3-5-9(12)11(18)8-17-7-10(15)13(19)16-14(17)20/h3-7H,2,8H2,1H3,(H,16,19,20)
InChIKeyYQZXNVYTVYBJMN-UHFFFAOYSA-N
XLogP1.58
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63776539
1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62025394
5-ethyl-1-[2-(2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66330111
5-bromo-1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63778706
1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one
CID 80580045
5-bromo-3-[2-(2-ethoxyphenyl)-2-oxoethyl]-2-methylpyrimidin-4-one
CID 66310305
1-(2-ethoxyphenyl)-2-methylsulfonylethanone
CID 62784939
3-[2-(2-ethoxyphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 62023536
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzenecarboperoxoic acid
CID 22314606
2-ethoxybenzoyl bromide
CID 19426336

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione (CID 63779260) is 5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione is CCOc1ccccc1C(=O)Cn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of 5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is YQZXNVYTVYBJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4/c1-2-21-12-6-4-3-5-9(12)11(18)8-17-7-10(15)13(19)16-14(17)20/h3-7H,2,8H2,1H3,(H,16,19,20).
What are the key properties of 5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 353.17 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63779260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).