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

C10H11BrN4S — CID 82490213

IUPAC2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
SMILESCc1nc(CCN)nc(-c2cc(Br)cs2)n1
InChIInChI=1S/C10H11BrN4S/c1-6-13-9(2-3-12)15-10(14-6)8-4-7(11)5-16-8/h4-5H,2-3,12H2,1H3
InChIKeyWTPQMPLSPRAQDO-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.17
Rot. Bonds3

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

2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine (PubChem CID 82490213) has the molecular formula C10H11BrN4S and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
PubChem CID82490213
Molecular FormulaC10H11BrN4S
Molecular Weight299.20 g/mol
Exact Mass297.99
IUPAC Name2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
SMILESCc1nc(CCN)nc(-c2cc(Br)cs2)n1
InChIInChI=1S/C10H11BrN4S/c1-6-13-9(2-3-12)15-10(14-6)8-4-7(11)5-16-8/h4-5H,2-3,12H2,1H3
InChIKeyWTPQMPLSPRAQDO-UHFFFAOYSA-N
XLogP2.17
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 82489865
[6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857651
2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306503
2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine
CID 63613660
2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66294167
[5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82488638
2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604361
2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine
CID 82307623
2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine
CID 82488410
2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 96669810
5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine
CID 66304612
2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 96668570

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine (CID 82490213) is 2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine is Cc1nc(CCN)nc(-c2cc(Br)cs2)n1.
What is the InChIKey of 2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The InChIKey is WTPQMPLSPRAQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4S/c1-6-13-9(2-3-12)15-10(14-6)8-4-7(11)5-16-8/h4-5H,2-3,12H2,1H3.
What are the key properties of 2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine has a molecular weight of 299.20 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine is sourced from PubChem (CID 82490213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).