3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one

C12H11BrN2O2 — CID 63769909

IUPAC3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CCOc1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O2/c13-10-1-3-11(4-2-10)17-8-7-15-9-14-6-5-12(15)16/h1-6,9H,7-8H2
InChIKeyFXEHUIAARFTFLX-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.08
Rot. Bonds4

About 3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one

3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one (PubChem CID 63769909) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one
PubChem CID63769909
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CCOc1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O2/c13-10-1-3-11(4-2-10)17-8-7-15-9-14-6-5-12(15)16/h1-6,9H,7-8H2
InChIKeyFXEHUIAARFTFLX-UHFFFAOYSA-N
XLogP2.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one
CID 55235489
3-[3-(4-aminophenoxy)propyl]pyrimidin-4-one
CID 63768989
4-[3-(6-oxopyrimidin-1-yl)propoxy]benzonitrile
CID 55237428
3-[2-(6-oxopyrimidin-1-yl)ethoxy]benzonitrile
CID 63768674
3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one
CID 115696902
3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one
CID 103482356
1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one
CID 43365768
3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 116622737
3-(5-chloropentyl)pyrimidin-4-one
CID 63768650
5-bromo-3-(2-phenoxyethyl)pyrimidin-4-one
CID 66310199
3-butylpyrimidin-4-one
CID 115679478
1-[2-(4-bromophenoxy)ethyl]pyrazole
CID 46739423

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one (CID 63769909) is 3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one is O=c1ccncn1CCOc1ccc(Br)cc1.
What is the InChIKey of 3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one?
The InChIKey is FXEHUIAARFTFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-10-1-3-11(4-2-10)17-8-7-15-9-14-6-5-12(15)16/h1-6,9H,7-8H2.
What are the key properties of 3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one?
3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one has a molecular weight of 295.14 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63769909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).