2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine

C12H13BrN4 — CID 82489865

IUPAC2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
SMILESCc1nc(CCN)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C12H13BrN4/c1-8-15-11(6-7-14)17-12(16-8)9-2-4-10(13)5-3-9/h2-5H,6-7,14H2,1H3
InChIKeyGHWVGRGJVIUGOB-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.11
Rot. Bonds3

About 2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine

2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine (PubChem CID 82489865) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
PubChem CID82489865
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
SMILESCc1nc(CCN)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C12H13BrN4/c1-8-15-11(6-7-14)17-12(16-8)9-2-4-10(13)5-3-9/h2-5H,6-7,14H2,1H3
InChIKeyGHWVGRGJVIUGOB-UHFFFAOYSA-N
XLogP2.11
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 96669810
2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 82490213
2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 96668570
[4-(4-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82474358
2-[4-methyl-6-(2-phenylethyl)-1,3,5-triazin-2-yl]ethanamine
CID 96662102
3-[2-(4-bromophenyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
CID 65294049
2-[2-(4-bromophenyl)pyrimidin-4-yl]ethanamine
CID 62746440
2-[4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-yl]acetic acid
CID 82486126
2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine
CID 63613484
[4-(4-ethyl-6-methyl-1,3,5-triazin-2-yl)phenyl]methanol
CID 71058174
[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250495
2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride
CID 82022820

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine (CID 82489865) is 2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine is Cc1nc(CCN)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The InChIKey is GHWVGRGJVIUGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-8-15-11(6-7-14)17-12(16-8)9-2-4-10(13)5-3-9/h2-5H,6-7,14H2,1H3.
What are the key properties of 2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine has a molecular weight of 293.17 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine is sourced from PubChem (CID 82489865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).