2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol

C10H9ClN2OS — CID 14745026

IUPAC2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol
SMILESOCCc1ccc(-c2ccnc(Cl)n2)s1
InChIInChI=1S/C10H9ClN2OS/c11-10-12-5-3-8(13-10)9-2-1-7(15-9)4-6-14/h1-3,5,14H,4,6H2
InChIKeyQGQJMIARNQHWQG-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.39
Rot. Bonds3

About 2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol

2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol (PubChem CID 14745026) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol
PubChem CID14745026
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol
SMILESOCCc1ccc(-c2ccnc(Cl)n2)s1
InChIInChI=1S/C10H9ClN2OS/c11-10-12-5-3-8(13-10)9-2-1-7(15-9)4-6-14/h1-3,5,14H,4,6H2
InChIKeyQGQJMIARNQHWQG-UHFFFAOYSA-N
XLogP2.39
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Thiophen-2-yl)pyrimidin-2-amine
CID 2764407
N-methyl-N-[4-(2-thienyl)-2-pyrimidinyl]cyanamide
CID 1478182
N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide
CID 9633938
2-Chloro-4-(thiophen-2-yl)pyrimidine
CID 14117941
4-(2-Thienyl)pyrimidine
CID 818968
N,N-dimethyl-2-(4-thiophen-2-ylpyrimidin-2-yl)oxyethanamine
CID 188791
N,N-dimethyl-3-(4-thiophen-2-ylpyrimidin-2-yl)oxypropan-1-amine
CID 44323065
4-[5-(2-Thienyl)-2-thienyl]pyrimidine
CID 85898244
2-Bromo-4-thiophen-2-ylpyrimidine
CID 14745031
(E)-N,N-dimethyl-N'-[4-(thiophen-2-yl)pyrimidin-2-yl]methanimidamide
CID 3744932
2-Methoxy-4-thiophen-2-ylpyrimidine
CID 67560375
4-(5-Methylthiophen-2-yl)pyrimidine
CID 124149032

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol?
The IUPAC name of 2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol (CID 14745026) is 2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol.
What is the SMILES notation for 2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol?
The canonical SMILES for 2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol is OCCc1ccc(-c2ccnc(Cl)n2)s1.
What is the InChIKey of 2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol?
The InChIKey is QGQJMIARNQHWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-10-12-5-3-8(13-10)9-2-1-7(15-9)4-6-14/h1-3,5,14H,4,6H2.
What are the key properties of 2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol?
2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol has a molecular weight of 240.72 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chloropyrimidin-4-yl)thiophen-2-yl]ethanol is sourced from PubChem (CID 14745026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).