5-bromo-2-(4-ethoxyphenoxy)pyrimidine

C12H11BrN2O2 — CID 63867392

IUPAC5-bromo-2-(4-ethoxyphenoxy)pyrimidine
SMILESCCOc1ccc(Oc2ncc(Br)cn2)cc1
InChIInChI=1S/C12H11BrN2O2/c1-2-16-10-3-5-11(6-4-10)17-12-14-7-9(13)8-15-12/h3-8H,2H2,1H3
InChIKeyDWZKYEVPLFJUNL-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.43
Rot. Bonds4

About 5-bromo-2-(4-ethoxyphenoxy)pyrimidine

5-bromo-2-(4-ethoxyphenoxy)pyrimidine (PubChem CID 63867392) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-bromo-2-(4-ethoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(4-ethoxyphenoxy)pyrimidine
PubChem CID63867392
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name5-bromo-2-(4-ethoxyphenoxy)pyrimidine
SMILESCCOc1ccc(Oc2ncc(Br)cn2)cc1
InChIInChI=1S/C12H11BrN2O2/c1-2-16-10-3-5-11(6-4-10)17-12-14-7-9(13)8-15-12/h3-8H,2H2,1H3
InChIKeyDWZKYEVPLFJUNL-UHFFFAOYSA-N
XLogP3.43
TPSA44.24 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 ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-fluorophenoxy)pyrimidine
CID 4270915
5-bromo-2-(4-ethoxyphenyl)pyridine
CID 83920618
1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene
CID 107086638
2-(3-ethoxyphenoxy)pyrimidin-5-amine
CID 55060800
4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine
CID 80863190
2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine
CID 63868415
5-chloro-2-(4-ethoxyphenoxy)pyridine
CID 66234109
4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80866586
3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol
CID 107680637
5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole
CID 174408682
4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
3-(5-bromopyrimidin-2-yl)oxy-4-ethylaniline
CID 14207817

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethoxyphenoxy)pyrimidine?
The IUPAC name of 5-bromo-2-(4-ethoxyphenoxy)pyrimidine (CID 63867392) is 5-bromo-2-(4-ethoxyphenoxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-(4-ethoxyphenoxy)pyrimidine?
The canonical SMILES for 5-bromo-2-(4-ethoxyphenoxy)pyrimidine is CCOc1ccc(Oc2ncc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-2-(4-ethoxyphenoxy)pyrimidine?
The InChIKey is DWZKYEVPLFJUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-2-16-10-3-5-11(6-4-10)17-12-14-7-9(13)8-15-12/h3-8H,2H2,1H3.
What are the key properties of 5-bromo-2-(4-ethoxyphenoxy)pyrimidine?
5-bromo-2-(4-ethoxyphenoxy)pyrimidine has a molecular weight of 295.14 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethoxyphenoxy)pyrimidine is sourced from PubChem (CID 63867392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).