2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline

C12H12BrN3O — CID 102902960

IUPAC2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline
SMILESNc1ccccc1CCOc1ncncc1Br
InChIInChI=1S/C12H12BrN3O/c13-10-7-15-8-16-12(10)17-6-5-9-3-1-2-4-11(9)14/h1-4,7-8H,5-6,14H2
InChIKeyWFTUXITZVOSRHG-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.44
Rot. Bonds4

About 2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline

2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline (PubChem CID 102902960) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline.

Molecular Properties

Compound Name2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline
PubChem CID102902960
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline
SMILESNc1ccccc1CCOc1ncncc1Br
InChIInChI=1S/C12H12BrN3O/c13-10-7-15-8-16-12(10)17-6-5-9-3-1-2-4-11(9)14/h1-4,7-8H,5-6,14H2
InChIKeyWFTUXITZVOSRHG-UHFFFAOYSA-N
XLogP2.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-(2-pyridin-2-ylethoxy)pyrimidine
CID 66320696
2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline
CID 102902966
2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline
CID 102902774
4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine
CID 66340180
2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline
CID 104706778
2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline
CID 102902940
2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline
CID 102902759
N-benzyl-3-(5-bromopyrimidin-4-yl)oxypropan-1-amine
CID 114783141
4-(2-thiophen-2-ylethoxy)pyrimidin-5-amine
CID 79916541
2-[2-(2-aminophenyl)ethoxy]-5-bromobenzonitrile
CID 102902840
2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline
CID 103204598
2-(2-ethoxyethyl)aniline
CID 14619442

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline?
The IUPAC name of 2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline (CID 102902960) is 2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline.
What is the SMILES notation for 2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline?
The canonical SMILES for 2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline is Nc1ccccc1CCOc1ncncc1Br.
What is the InChIKey of 2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline?
The InChIKey is WFTUXITZVOSRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-7-15-8-16-12(10)17-6-5-9-3-1-2-4-11(9)14/h1-4,7-8H,5-6,14H2.
What are the key properties of 2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline?
2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline has a molecular weight of 294.15 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline is sourced from PubChem (CID 102902960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).