5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione

C12H10BrClN2O3 — CID 674163

IUPAC5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCOc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C12H10BrClN2O3/c13-10-7-16(12(18)15-11(10)17)5-6-19-9-3-1-8(14)2-4-9/h1-4,7H,5-6H2,(H,15,17,18)
InChIKeyKEDMKBJCEYILDJ-UHFFFAOYSA-N
MW345.58 g/mol
LogP2.03
Rot. Bonds4

About 5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione

5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 674163) has the molecular formula C12H10BrClN2O3 and a molecular weight of 345.58 g/mol. Its IUPAC name is 5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione
PubChem CID674163
Molecular FormulaC12H10BrClN2O3
Molecular Weight345.58 g/mol
Exact Mass343.96
IUPAC Name5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCOc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C12H10BrClN2O3/c13-10-7-16(12(18)15-11(10)17)5-6-19-9-3-1-8(14)2-4-9/h1-4,7H,5-6H2,(H,15,17,18)
InChIKeyKEDMKBJCEYILDJ-UHFFFAOYSA-N
XLogP2.03
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.58
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione (CID 674163) is 5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCOc2ccc(Cl)cc2)cc1Br.
What is the InChIKey of 5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is KEDMKBJCEYILDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O3/c13-10-7-16(12(18)15-11(10)17)5-6-19-9-3-1-8(14)2-4-9/h1-4,7H,5-6H2,(H,15,17,18).
What are the key properties of 5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione?
5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 345.58 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 674163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).