4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one

C11H8BrFN2O2 — CID 114673213

IUPAC4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Oc2cc(Br)ccc2F)cc(=O)[nH]1
InChIInChI=1S/C11H8BrFN2O2/c1-6-14-10(16)5-11(15-6)17-9-4-7(12)2-3-8(9)13/h2-5H,1H3,(H,14,15,16)
InChIKeyWHOCXUOESZJCOQ-UHFFFAOYSA-N
MW299.10 g/mol
LogP2.77
Rot. Bonds2

About 4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one

4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 114673213) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID114673213
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC Name4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Oc2cc(Br)ccc2F)cc(=O)[nH]1
InChIInChI=1S/C11H8BrFN2O2/c1-6-14-10(16)5-11(15-6)17-9-4-7(12)2-3-8(9)13/h2-5H,1H3,(H,14,15,16)
InChIKeyWHOCXUOESZJCOQ-UHFFFAOYSA-N
XLogP2.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585940
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
CID 103242073
4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine
CID 114673114
2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241191
4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one
CID 103240999
2-(5-bromo-2-fluorophenoxy)-6-fluoropyridine
CID 114672244
2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine
CID 114070754
4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585899
4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114578883
3-chloro-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585684
2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one
CID 103241071
6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102720122

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one (CID 114673213) is 4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one is Cc1nc(Oc2cc(Br)ccc2F)cc(=O)[nH]1.
What is the InChIKey of 4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is WHOCXUOESZJCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c1-6-14-10(16)5-11(15-6)17-9-4-7(12)2-3-8(9)13/h2-5H,1H3,(H,14,15,16).
What are the key properties of 4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one?
4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 299.10 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114673213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).