2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine

C13H14BrN3 — CID 107915607

IUPAC2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine
SMILESCc1ccc(-c2nccc(CCN)n2)c(Br)c1
InChIInChI=1S/C13H14BrN3/c1-9-2-3-11(12(14)8-9)13-16-7-5-10(17-13)4-6-15/h2-3,5,7-8H,4,6,15H2,1H3
InChIKeyTWKFEIHNTATXMZ-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.72
Rot. Bonds3

About 2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine

2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine (PubChem CID 107915607) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine
PubChem CID107915607
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine
SMILESCc1ccc(-c2nccc(CCN)n2)c(Br)c1
InChIInChI=1S/C13H14BrN3/c1-9-2-3-11(12(14)8-9)13-16-7-5-10(17-13)4-6-15/h2-3,5,7-8H,4,6,15H2,1H3
InChIKeyTWKFEIHNTATXMZ-UHFFFAOYSA-N
XLogP2.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromophenyl)pyrimidin-4-yl]ethanamine
CID 62746440
2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine
CID 62745029
(1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 107915584
4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104881098
2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride
CID 129319573
1-[2-(2-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 114015474
2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine
CID 107282777
(1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 114015484
2-(2-bromo-4-methylphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 107915347
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 114015423
2-(2-propylpyrimidin-4-yl)ethanamine
CID 62744687
2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride
CID 82022820

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine (CID 107915607) is 2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine is Cc1ccc(-c2nccc(CCN)n2)c(Br)c1.
What is the InChIKey of 2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine?
The InChIKey is TWKFEIHNTATXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-2-3-11(12(14)8-9)13-16-7-5-10(17-13)4-6-15/h2-3,5,7-8H,4,6,15H2,1H3.
What are the key properties of 2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine?
2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine has a molecular weight of 292.18 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 107915607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).