2-chloro-4-thiophen-3-ylpyrimidine

C8H5ClN2S — CID 14117942

IUPAC2-chloro-4-thiophen-3-ylpyrimidine
SMILESClc1nccc(-c2ccsc2)n1
InChIInChI=1S/C8H5ClN2S/c9-8-10-3-1-7(11-8)6-2-4-12-5-6/h1-5H
InChIKeyGMMIEOYPIKYMEE-UHFFFAOYSA-N
MW196.66 g/mol
LogP2.86
Rot. Bonds1

About 2-chloro-4-thiophen-3-ylpyrimidine

2-chloro-4-thiophen-3-ylpyrimidine (PubChem CID 14117942) has the molecular formula C8H5ClN2S and a molecular weight of 196.66 g/mol. Its IUPAC name is 2-chloro-4-thiophen-3-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-thiophen-3-ylpyrimidine
PubChem CID14117942
Molecular FormulaC8H5ClN2S
Molecular Weight196.66 g/mol
Exact Mass195.99
IUPAC Name2-chloro-4-thiophen-3-ylpyrimidine
SMILESClc1nccc(-c2ccsc2)n1
InChIInChI=1S/C8H5ClN2S/c9-8-10-3-1-7(11-8)6-2-4-12-5-6/h1-5H
InChIKeyGMMIEOYPIKYMEE-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 2-chloro-4-thiophen-3-ylpyrimidine?
The IUPAC name of 2-chloro-4-thiophen-3-ylpyrimidine (CID 14117942) is 2-chloro-4-thiophen-3-ylpyrimidine.
What is the SMILES notation for 2-chloro-4-thiophen-3-ylpyrimidine?
The canonical SMILES for 2-chloro-4-thiophen-3-ylpyrimidine is Clc1nccc(-c2ccsc2)n1.
What is the InChIKey of 2-chloro-4-thiophen-3-ylpyrimidine?
The InChIKey is GMMIEOYPIKYMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2S/c9-8-10-3-1-7(11-8)6-2-4-12-5-6/h1-5H.
What are the key properties of 2-chloro-4-thiophen-3-ylpyrimidine?
2-chloro-4-thiophen-3-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 2-chloro-4-thiophen-3-ylpyrimidine is sourced from PubChem (CID 14117942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).