2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol

C10H8Cl2N2OS — CID 87327792

IUPAC2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol
SMILESOCC(c1ccnc(Cl)n1)c1ccc(Cl)s1
InChIInChI=1S/C10H8Cl2N2OS/c11-9-2-1-8(16-9)6(5-15)7-3-4-13-10(12)14-7/h1-4,6,15H,5H2
InChIKeyRDZQFXNTUWPIQY-UHFFFAOYSA-N
MW275.16 g/mol
LogP2.97
Rot. Bonds3

About 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol

2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol (PubChem CID 87327792) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol
PubChem CID87327792
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol
SMILESOCC(c1ccnc(Cl)n1)c1ccc(Cl)s1
InChIInChI=1S/C10H8Cl2N2OS/c11-9-2-1-8(16-9)6(5-15)7-3-4-13-10(12)14-7/h1-4,6,15H,5H2
InChIKeyRDZQFXNTUWPIQY-UHFFFAOYSA-N
XLogP2.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-(4-Fluoro-benzyl)-5-(5-chloro-2-(methylthio)pyrimidin-4-yl)thiophen-3-yl)ethanol
CID 60204463
5-(2-Chloro-4-pyrimidinyl)-2-thiopheneethanol
CID 14745026
2-Chloro-4-(5-chlorothiophen-2-yl)pyrimidine
CID 24901987
[4-(2-Chloropyrimidin-4-yl)thiophen-2-yl]methanol
CID 57618562
[5-(2-Chloropyrimidin-4-yl)thiophen-2-yl]methanol
CID 57618579
4-[5-(2-Chloro-pyrimidin-4-yl)-thiophen-2-yl]-2-methyl-butan-2-ol
CID 57936245
2-(2-Chloropyrimidin-4-yl)-1-(5-chloro-2-thienyl)ethanol
CID 86657916
2-(2-Chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde
CID 87327479
2-(5-Chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde
CID 87327913
[5-(2-Chloro-5-methyl-pyrimidin-4-yl)-thiophen-2-yl]-methanol
CID 87602820
3-(4-Chlorophenyl)-3-[methyl-(4-thiophen-2-ylpyrimidin-2-yl)amino]propan-1-ol
CID 90801597
(4-Chlorophenyl)-[5-(2-methylpyrimidin-4-yl)thiophen-2-yl]methanol
CID 117669999

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol?
The IUPAC name of 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol (CID 87327792) is 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol is OCC(c1ccnc(Cl)n1)c1ccc(Cl)s1.
What is the InChIKey of 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol?
The InChIKey is RDZQFXNTUWPIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c11-9-2-1-8(16-9)6(5-15)7-3-4-13-10(12)14-7/h1-4,6,15H,5H2.
What are the key properties of 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol?
2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol has a molecular weight of 275.16 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 87327792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).