2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine

C13H14BrN3O — CID 102950704

IUPAC2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCOc1cc(C(N)Cc2ccccc2Br)ncn1
InChIInChI=1S/C13H14BrN3O/c1-18-13-7-12(16-8-17-13)11(15)6-9-4-2-3-5-10(9)14/h2-5,7-8,11H,6,15H2,1H3
InChIKeyLKRVZFMKCKQCMN-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.49
Rot. Bonds4

About 2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine

2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine (PubChem CID 102950704) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
PubChem CID102950704
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCOc1cc(C(N)Cc2ccccc2Br)ncn1
InChIInChI=1S/C13H14BrN3O/c1-18-13-7-12(16-8-17-13)11(15)6-9-4-2-3-5-10(9)14/h2-5,7-8,11H,6,15H2,1H3
InChIKeyLKRVZFMKCKQCMN-UHFFFAOYSA-N
XLogP2.49
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950747
2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950753
2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950825
2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 106868880
2-ethoxy-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950788
2-(2-bromophenyl)-1-(3-methoxyphenyl)ethanamine
CID 55026907
2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950450
1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 102950597
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102951934
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950413
[2-(2,3-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 107312811

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine (CID 102950704) is 2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine is COc1cc(C(N)Cc2ccccc2Br)ncn1.
What is the InChIKey of 2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
The InChIKey is LKRVZFMKCKQCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-18-13-7-12(16-8-17-13)11(15)6-9-4-2-3-5-10(9)14/h2-5,7-8,11H,6,15H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine has a molecular weight of 308.18 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine is sourced from PubChem (CID 102950704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).