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

C11H11ClN2O2S — CID 113397524

IUPAC1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(CC(O)c2sccc2Cl)ncn1
InChIInChI=1S/C11H11ClN2O2S/c1-16-10-5-7(13-6-14-10)4-9(15)11-8(12)2-3-17-11/h2-3,5-6,9,15H,4H2,1H3
InChIKeyQIUVEYSDRHWUJZ-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.48
Rot. Bonds4

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

1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol (PubChem CID 113397524) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol
PubChem CID113397524
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(CC(O)c2sccc2Cl)ncn1
InChIInChI=1S/C11H11ClN2O2S/c1-16-10-5-7(13-6-14-10)4-9(15)11-8(12)2-3-17-11/h2-3,5-6,9,15H,4H2,1H3
InChIKeyQIUVEYSDRHWUJZ-UHFFFAOYSA-N
XLogP2.48
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol
CID 107995606
[(3-chlorothiophen-2-yl)-(6-methoxypyrimidin-4-yl)methyl]hydrazine
CID 107362215
1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822545
2-(6-methoxypyrimidin-4-yl)-1-(2-methyl-1,3-thiazol-5-yl)ethanol
CID 114031534
4-methoxy-6-(2-methylpropyl)pyrimidine
CID 146431371
4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine
CID 66320386
2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950413
4-[2-(3-bromo-4-chlorophenyl)-2-chloroethyl]-6-methoxypyrimidine
CID 107995691
1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811557
1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol
CID 80642058
1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol
CID 115828463
2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950327

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol (CID 113397524) is 1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol is COc1cc(CC(O)c2sccc2Cl)ncn1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol?
The InChIKey is QIUVEYSDRHWUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-16-10-5-7(13-6-14-10)4-9(15)11-8(12)2-3-17-11/h2-3,5-6,9,15H,4H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol?
1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol has a molecular weight of 270.74 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol is sourced from PubChem (CID 113397524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).