4-chloro-6-thiophen-2-ylpyrimidine

C8H5ClN2S — CID 24902111

IUPAC4-chloro-6-thiophen-2-ylpyrimidine
SMILESClc1cc(-c2cccs2)ncn1
InChIInChI=1S/C8H5ClN2S/c9-8-4-6(10-5-11-8)7-2-1-3-12-7/h1-5H
InChIKeyWISVYBFTUYSGNO-UHFFFAOYSA-N
MW196.66 g/mol
LogP2.86
Rot. Bonds1

About 4-chloro-6-thiophen-2-ylpyrimidine

4-chloro-6-thiophen-2-ylpyrimidine (PubChem CID 24902111) has the molecular formula C8H5ClN2S and a molecular weight of 196.66 g/mol. Its IUPAC name is 4-chloro-6-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-thiophen-2-ylpyrimidine
PubChem CID24902111
Molecular FormulaC8H5ClN2S
Molecular Weight196.66 g/mol
Exact Mass195.99
IUPAC Name4-chloro-6-thiophen-2-ylpyrimidine
SMILESClc1cc(-c2cccs2)ncn1
InChIInChI=1S/C8H5ClN2S/c9-8-4-6(10-5-11-8)7-2-1-3-12-7/h1-5H
InChIKeyWISVYBFTUYSGNO-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.66
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-thiophen-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-thiophen-2-ylpyrimidine (CID 24902111) is 4-chloro-6-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-thiophen-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-thiophen-2-ylpyrimidine is Clc1cc(-c2cccs2)ncn1.
What is the InChIKey of 4-chloro-6-thiophen-2-ylpyrimidine?
The InChIKey is WISVYBFTUYSGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2S/c9-8-4-6(10-5-11-8)7-2-1-3-12-7/h1-5H.
What are the key properties of 4-chloro-6-thiophen-2-ylpyrimidine?
4-chloro-6-thiophen-2-ylpyrimidine has a molecular weight of 196.66 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-thiophen-2-ylpyrimidine is sourced from PubChem (CID 24902111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).