4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine

C13H12BrFN2O — CID 114673114

IUPAC4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine
SMILESCCc1cc(Oc2cc(Br)ccc2F)nc(C)n1
InChIInChI=1S/C13H12BrFN2O/c1-3-10-7-13(17-8(2)16-10)18-12-6-9(14)4-5-11(12)15/h4-7H,3H2,1-2H3
InChIKeyGUHNMTFDPLZICY-UHFFFAOYSA-N
MW311.15 g/mol
LogP4.04
Rot. Bonds3

About 4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine

4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine (PubChem CID 114673114) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine
PubChem CID114673114
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine
SMILESCCc1cc(Oc2cc(Br)ccc2F)nc(C)n1
InChIInChI=1S/C13H12BrFN2O/c1-3-10-7-13(17-8(2)16-10)18-12-6-9(14)4-5-11(12)15/h4-7H,3H2,1-2H3
InChIKeyGUHNMTFDPLZICY-UHFFFAOYSA-N
XLogP4.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114673213
5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole
CID 114673390
2-(5-bromo-2-fluorophenoxy)-6-fluoropyridine
CID 114672244
4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine
CID 114677310
[2-(5-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 114671610
4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 114677390
6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 114677384
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 104940722
6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102720122
4-bromo-2-(ethoxymethoxy)-1-fluorobenzene
CID 114672897
3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 115918530
[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 107287706

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine?
The IUPAC name of 4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine (CID 114673114) is 4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine?
The canonical SMILES for 4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine is CCc1cc(Oc2cc(Br)ccc2F)nc(C)n1.
What is the InChIKey of 4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine?
The InChIKey is GUHNMTFDPLZICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-3-10-7-13(17-8(2)16-10)18-12-6-9(14)4-5-11(12)15/h4-7H,3H2,1-2H3.
What are the key properties of 4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine?
4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine has a molecular weight of 311.15 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine is sourced from PubChem (CID 114673114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).