2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine

C12H11BrFN3 — CID 102923366

IUPAC2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine
SMILESNC(Cc1cc(F)ccc1Br)c1cncnc1
InChIInChI=1S/C12H11BrFN3/c13-11-2-1-10(14)3-8(11)4-12(15)9-5-16-7-17-6-9/h1-3,5-7,12H,4,15H2
InChIKeySKYYQOMCEYKODX-UHFFFAOYSA-N
MW296.14 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine

2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine (PubChem CID 102923366) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine
PubChem CID102923366
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine
SMILESNC(Cc1cc(F)ccc1Br)c1cncnc1
InChIInChI=1S/C12H11BrFN3/c13-11-2-1-10(14)3-8(11)4-12(15)9-5-16-7-17-6-9/h1-3,5-7,12H,4,15H2
InChIKeySKYYQOMCEYKODX-UHFFFAOYSA-N
XLogP2.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 63094668
4-[1-amino-2-(2-bromo-5-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105136786
2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115843812
2-(3-bromo-4-fluorophenyl)-1-pyrimidin-5-ylethanamine
CID 102923307
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 115843687
2-(2-bromo-5-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanamine
CID 114894635
2-(2-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine
CID 107357047
2-(2-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 114022096
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 66425067
1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843513

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine (CID 102923366) is 2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine is NC(Cc1cc(F)ccc1Br)c1cncnc1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine?
The InChIKey is SKYYQOMCEYKODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c13-11-2-1-10(14)3-8(11)4-12(15)9-5-16-7-17-6-9/h1-3,5-7,12H,4,15H2.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine?
2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine has a molecular weight of 296.14 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 102923366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).