2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine

C13H13BrFN3O — CID 102950753

IUPAC2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCOc1cc(C(N)Cc2ccc(Br)cc2F)ncn1
InChIInChI=1S/C13H13BrFN3O/c1-19-13-6-12(17-7-18-13)11(16)4-8-2-3-9(14)5-10(8)15/h2-3,5-7,11H,4,16H2,1H3
InChIKeyATYNZIINYBCQBV-UHFFFAOYSA-N
MW326.17 g/mol
LogP2.63
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine

2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine (PubChem CID 102950753) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
PubChem CID102950753
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCOc1cc(C(N)Cc2ccc(Br)cc2F)ncn1
InChIInChI=1S/C13H13BrFN3O/c1-19-13-6-12(17-7-18-13)11(16)4-8-2-3-9(14)5-10(8)15/h2-3,5-7,11H,4,16H2,1H3
InChIKeyATYNZIINYBCQBV-UHFFFAOYSA-N
XLogP2.63
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950825
2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950450
2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950747
2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950704
2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 106868880
[2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953441
2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115844728
2-(4-bromo-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 105137154
[2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953300
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 115844636
2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine
CID 105137155

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine (CID 102950753) is 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine is COc1cc(C(N)Cc2ccc(Br)cc2F)ncn1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
The InChIKey is ATYNZIINYBCQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-19-13-6-12(17-7-18-13)11(16)4-8-2-3-9(14)5-10(8)15/h2-3,5-7,11H,4,16H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine has a molecular weight of 326.17 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine is sourced from PubChem (CID 102950753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).