[2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol

C9H7ClN2OS — CID 131160800

IUPAC[2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2ccc(Cl)s2)nc1
InChIInChI=1S/C9H7ClN2OS/c10-8-2-1-7(14-8)9-11-3-6(5-13)4-12-9/h1-4,13H,5H2
InChIKeyVYPJMIQEAUAPBA-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.35
Rot. Bonds2

About [2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol

[2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol (PubChem CID 131160800) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol
PubChem CID131160800
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name[2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2ccc(Cl)s2)nc1
InChIInChI=1S/C9H7ClN2OS/c10-8-2-1-7(14-8)9-11-3-6(5-13)4-12-9/h1-4,13H,5H2
InChIKeyVYPJMIQEAUAPBA-UHFFFAOYSA-N
XLogP2.35
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine
CID 130756455
5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
CID 66295486
[2-(5-methylthiophen-2-yl)pyrimidin-5-yl]methanamine
CID 131067816
[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol
CID 63086692
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 82085986
5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine
CID 66297613
5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole
CID 60984120
2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
CID 115083549
5-chloro-2-(5-chlorothiophen-2-yl)-1,3-oxazole
CID 117258864
2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole
CID 59009299
2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide
CID 144811588
2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole
CID 65180092

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol (CID 131160800) is [2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol is OCc1cnc(-c2ccc(Cl)s2)nc1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol?
The InChIKey is VYPJMIQEAUAPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-8-2-1-7(14-8)9-11-3-6(5-13)4-12-9/h1-4,13H,5H2.
What are the key properties of [2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol?
[2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol has a molecular weight of 226.69 g/mol, XLogP of 2.35, 2 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)pyrimidin-5-yl]methanol is sourced from PubChem (CID 131160800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).