2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol

C10H9ClN2OS — CID 62607085

IUPAC2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol
SMILESOC(Cc1ccc(Cl)s1)c1ncccn1
InChIInChI=1S/C10H9ClN2OS/c11-9-3-2-7(15-9)6-8(14)10-12-4-1-5-13-10/h1-5,8,14H,6H2
InChIKeyAJHKUXQKLDWHKW-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.47
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol

2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol (PubChem CID 62607085) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol
PubChem CID62607085
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol
SMILESOC(Cc1ccc(Cl)s1)c1ncccn1
InChIInChI=1S/C10H9ClN2OS/c11-9-3-2-7(15-9)6-8(14)10-12-4-1-5-13-10/h1-5,8,14H,6H2
InChIKeyAJHKUXQKLDWHKW-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol
CID 65150596
1-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62608628
2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanol
CID 62606143
1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62607206
2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol
CID 79982846
2-(5-chlorothiophen-2-yl)-1-(2-ethylphenyl)ethanol
CID 65150095
2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105087426
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanol
CID 62608024
2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 65148256
1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786109
1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol
CID 62691720

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol (CID 62607085) is 2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol is OC(Cc1ccc(Cl)s1)c1ncccn1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol?
The InChIKey is AJHKUXQKLDWHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-9-3-2-7(15-9)6-8(14)10-12-4-1-5-13-10/h1-5,8,14H,6H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol?
2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol has a molecular weight of 240.72 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol is sourced from PubChem (CID 62607085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).