4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine

C12H10BrFN2O — CID 103879747

IUPAC4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine
SMILESCCc1ncnc(Oc2ccccc2Br)c1F
InChIInChI=1S/C12H10BrFN2O/c1-2-9-11(14)12(16-7-15-9)17-10-6-4-3-5-8(10)13/h3-7H,2H2,1H3
InChIKeyFJCYTBACPMAAPJ-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.73
Rot. Bonds3

About 4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine

4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine (PubChem CID 103879747) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine.

Molecular Properties

Compound Name4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine
PubChem CID103879747
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine
SMILESCCc1ncnc(Oc2ccccc2Br)c1F
InChIInChI=1S/C12H10BrFN2O/c1-2-9-11(14)12(16-7-15-9)17-10-6-4-3-5-8(10)13/h3-7H,2H2,1H3
InChIKeyFJCYTBACPMAAPJ-UHFFFAOYSA-N
XLogP3.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine?
The IUPAC name of 4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine (CID 103879747) is 4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine.
What is the SMILES notation for 4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine?
The canonical SMILES for 4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine is CCc1ncnc(Oc2ccccc2Br)c1F.
What is the InChIKey of 4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine?
The InChIKey is FJCYTBACPMAAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-2-9-11(14)12(16-7-15-9)17-10-6-4-3-5-8(10)13/h3-7H,2H2,1H3.
What are the key properties of 4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine?
4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine has a molecular weight of 297.13 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine is sourced from PubChem (CID 103879747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).