6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine

C13H13BrFN3O2 — CID 114677384

IUPAC6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cc(Br)ccc2F)nc(COC)n1
InChIInChI=1S/C13H13BrFN3O2/c1-16-11-6-13(18-12(17-11)7-19-2)20-10-5-8(14)3-4-9(10)15/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyBAPAUNXSXKCLBZ-UHFFFAOYSA-N
MW342.17 g/mol
LogP3.36
Rot. Bonds5

About 6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine

6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 114677384) has the molecular formula C13H13BrFN3O2 and a molecular weight of 342.17 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID114677384
Molecular FormulaC13H13BrFN3O2
Molecular Weight342.17 g/mol
Exact Mass341.02
IUPAC Name6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cc(Br)ccc2F)nc(COC)n1
InChIInChI=1S/C13H13BrFN3O2/c1-16-11-6-13(18-12(17-11)7-19-2)20-10-5-8(14)3-4-9(10)15/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyBAPAUNXSXKCLBZ-UHFFFAOYSA-N
XLogP3.36
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456558
6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80878001
6-(2-methoxyethoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456721
6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80877840
N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
CID 113400836
4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107604540
6-(4-bromo-2-nitrophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80939103
4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine
CID 114673114
2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 114676651
6-(3-bromophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941647
6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 104708809
[6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine
CID 114677416

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 114677384) is 6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(Oc2cc(Br)ccc2F)nc(COC)n1.
What is the InChIKey of 6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is BAPAUNXSXKCLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2/c1-16-11-6-13(18-12(17-11)7-19-2)20-10-5-8(14)3-4-9(10)15/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 342.17 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 114677384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).