2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol

C11H11BrN2O2S — CID 102950413

IUPAC2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(C(O)Cc2sccc2Br)ncn1
InChIInChI=1S/C11H11BrN2O2S/c1-16-11-4-8(13-6-14-11)9(15)5-10-7(12)2-3-17-10/h2-4,6,9,15H,5H2,1H3
InChIKeyUBZISAGPMNNJRL-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.59
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol

2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol (PubChem CID 102950413) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol
PubChem CID102950413
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(C(O)Cc2sccc2Br)ncn1
InChIInChI=1S/C11H11BrN2O2S/c1-16-11-4-8(13-6-14-11)9(15)5-10-7(12)2-3-17-10/h2-4,6,9,15H,5H2,1H3
InChIKeyUBZISAGPMNNJRL-UHFFFAOYSA-N
XLogP2.59
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373642
2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol
CID 62606656
2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950450
2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105090888
(6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 102950671
2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950454
1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79197988
2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol
CID 65148432
2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950327
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 114329930
2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950239
1-(6-methoxypyrimidin-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 102950360

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol (CID 102950413) is 2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol is COc1cc(C(O)Cc2sccc2Br)ncn1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol?
The InChIKey is UBZISAGPMNNJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-16-11-4-8(13-6-14-11)9(15)5-10-7(12)2-3-17-10/h2-4,6,9,15H,5H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol?
2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol has a molecular weight of 315.19 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol is sourced from PubChem (CID 102950413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).