2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine

C11H12BrN3S — CID 115530366

IUPAC2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCc1nccc(C(N)Cc2ccc(Br)s2)n1
InChIInChI=1S/C11H12BrN3S/c1-7-14-5-4-10(15-7)9(13)6-8-2-3-11(12)16-8/h2-5,9H,6,13H2,1H3
InChIKeyUYWINDMTIKGMIN-UHFFFAOYSA-N
MW298.21 g/mol
LogP2.85
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine

2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine (PubChem CID 115530366) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
PubChem CID115530366
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCc1nccc(C(N)Cc2ccc(Br)s2)n1
InChIInChI=1S/C11H12BrN3S/c1-7-14-5-4-10(15-7)9(13)6-8-2-3-11(12)16-8/h2-5,9H,6,13H2,1H3
InChIKeyUYWINDMTIKGMIN-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260361
1-(2-methylpyrimidin-4-yl)-2-pyridin-4-ylethanamine
CID 115530469
1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine
CID 115530277
2-(5-bromothiophen-2-yl)-1-quinolin-4-ylethanamine
CID 105134776
2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105134491
2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105134853
2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877921
2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
CID 62607190
2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530048
2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329452
2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105134705
(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941101

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine (CID 115530366) is 2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine is Cc1nccc(C(N)Cc2ccc(Br)s2)n1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The InChIKey is UYWINDMTIKGMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-7-14-5-4-10(15-7)9(13)6-8-2-3-11(12)16-8/h2-5,9H,6,13H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine has a molecular weight of 298.21 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 115530366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).