[2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine

C11H9BrFN3O — CID 107542699

IUPAC[2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C11H9BrFN3O/c12-9-2-1-8(5-10(9)13)17-11-15-4-3-7(6-14)16-11/h1-5H,6,14H2
InChIKeyTZPQYVJUUUKOOB-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.63
Rot. Bonds3

About [2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine

[2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine (PubChem CID 107542699) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is [2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine
PubChem CID107542699
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name[2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C11H9BrFN3O/c12-9-2-1-8(5-10(9)13)17-11-15-4-3-7(6-14)16-11/h1-5H,6,14H2
InChIKeyTZPQYVJUUUKOOB-UHFFFAOYSA-N
XLogP2.63
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 83232159
[1-(4-bromo-3-fluorophenoxy)isoquinolin-3-yl]methanamine
CID 65201053
4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine
CID 65201517
[2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]methanamine
CID 107542658
[4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine
CID 65201195
[2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine
CID 107542682
4-(4-bromo-3-fluorophenoxy)quinoline
CID 65203118
2-(4-bromo-3-fluorophenoxy)-6-methylpyrimidine-4-carbothioamide
CID 107548668
4-(4-bromo-3-fluorophenoxy)benzene-1,2-diamine
CID 106748501
2-(4-bromo-3-fluorophenoxy)-3,5-difluoropyridine
CID 112675508
2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine
CID 107373790
6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80878320

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine (CID 107542699) is [2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine is NCc1ccnc(Oc2ccc(Br)c(F)c2)n1.
What is the InChIKey of [2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine?
The InChIKey is TZPQYVJUUUKOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c12-9-2-1-8(5-10(9)13)17-11-15-4-3-7(6-14)16-11/h1-5H,6,14H2.
What are the key properties of [2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine?
[2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine has a molecular weight of 298.12 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).