2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine

C11H12BrN3S — CID 82308235

IUPAC2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine
SMILESCc1cc(-c2ccc(Br)s2)nc(CCN)n1
InChIInChI=1S/C11H12BrN3S/c1-7-6-8(9-2-3-10(12)16-9)15-11(14-7)4-5-13/h2-3,6H,4-5,13H2,1H3
InChIKeyABFHUBHTHTZVOG-UHFFFAOYSA-N
MW298.21 g/mol
LogP2.78
Rot. Bonds3

About 2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine

2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine (PubChem CID 82308235) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine
PubChem CID82308235
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine
SMILESCc1cc(-c2ccc(Br)s2)nc(CCN)n1
InChIInChI=1S/C11H12BrN3S/c1-7-6-8(9-2-3-10(12)16-9)15-11(14-7)4-5-13/h2-3,6H,4-5,13H2,1H3
InChIKeyABFHUBHTHTZVOG-UHFFFAOYSA-N
XLogP2.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]acetic acid
CID 116894080
2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489655
2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine
CID 82299318
2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 96669293
2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 95464263
2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine
CID 82484222
2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892646
2-[4-(2,5-dimethoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 95475597
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892905
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]ethanamine
CID 116892597

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine (CID 82308235) is 2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine is Cc1cc(-c2ccc(Br)s2)nc(CCN)n1.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine?
The InChIKey is ABFHUBHTHTZVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-7-6-8(9-2-3-10(12)16-9)15-11(14-7)4-5-13/h2-3,6H,4-5,13H2,1H3.
What are the key properties of 2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine?
2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine has a molecular weight of 298.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine is sourced from PubChem (CID 82308235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).