2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine

C13H14BrN3 — CID 62829674

IUPAC2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
SMILESCNC(Cc1ccccc1Br)c1cncnc1
InChIInChI=1S/C13H14BrN3/c1-15-13(11-7-16-9-17-8-11)6-10-4-2-3-5-12(10)14/h2-5,7-9,13,15H,6H2,1H3
InChIKeyGBSJFZBNBXRWOP-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.74
Rot. Bonds4

About 2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine

2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine (PubChem CID 62829674) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
PubChem CID62829674
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
SMILESCNC(Cc1ccccc1Br)c1cncnc1
InChIInChI=1S/C13H14BrN3/c1-15-13(11-7-16-9-17-8-11)6-10-4-2-3-5-12(10)14/h2-5,7-9,13,15H,6H2,1H3
InChIKeyGBSJFZBNBXRWOP-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine
CID 105214865
2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
N-methyl-2-naphthalen-1-yl-1-pyrimidin-5-ylethanamine
CID 105118515
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82901988
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786942
2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 102923329
2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 65105091
2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105087401
2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 60818795
2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065184
2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115787231

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine (CID 62829674) is 2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine is CNC(Cc1ccccc1Br)c1cncnc1.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine?
The InChIKey is GBSJFZBNBXRWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-15-13(11-7-16-9-17-8-11)6-10-4-2-3-5-12(10)14/h2-5,7-9,13,15H,6H2,1H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine?
2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine has a molecular weight of 292.18 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 62829674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).