2-thiophen-3-ylpyrimidine

C8H6N2S — CID 818966

IUPAC2-thiophen-3-ylpyrimidine
SMILESc1cnc(-c2ccsc2)nc1
InChIInChI=1S/C8H6N2S/c1-3-9-8(10-4-1)7-2-5-11-6-7/h1-6H
InChIKeyJSZNHWCHEOFXAY-UHFFFAOYSA-N
MW162.22 g/mol
LogP2.21
Rot. Bonds1

About 2-thiophen-3-ylpyrimidine

2-thiophen-3-ylpyrimidine (PubChem CID 818966) has the molecular formula C8H6N2S and a molecular weight of 162.22 g/mol. Its IUPAC name is 2-thiophen-3-ylpyrimidine.

Molecular Properties

Compound Name2-thiophen-3-ylpyrimidine
PubChem CID818966
Molecular FormulaC8H6N2S
Molecular Weight162.22 g/mol
Exact Mass162.03
IUPAC Name2-thiophen-3-ylpyrimidine
SMILESc1cnc(-c2ccsc2)nc1
InChIInChI=1S/C8H6N2S/c1-3-9-8(10-4-1)7-2-5-11-6-7/h1-6H
InChIKeyJSZNHWCHEOFXAY-UHFFFAOYSA-N
XLogP2.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-ylpyrimidine?
The IUPAC name of 2-thiophen-3-ylpyrimidine (CID 818966) is 2-thiophen-3-ylpyrimidine.
What is the SMILES notation for 2-thiophen-3-ylpyrimidine?
The canonical SMILES for 2-thiophen-3-ylpyrimidine is c1cnc(-c2ccsc2)nc1.
What is the InChIKey of 2-thiophen-3-ylpyrimidine?
The InChIKey is JSZNHWCHEOFXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S/c1-3-9-8(10-4-1)7-2-5-11-6-7/h1-6H.
What are the key properties of 2-thiophen-3-ylpyrimidine?
2-thiophen-3-ylpyrimidine has a molecular weight of 162.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylpyrimidine is sourced from PubChem (CID 818966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).