5-thiophen-3-ylpyrimidine

C8H6N2S — CID 818973

IUPAC5-thiophen-3-ylpyrimidine
SMILESc1ncc(-c2ccsc2)cn1
InChIInChI=1S/C8H6N2S/c1-2-11-5-7(1)8-3-9-6-10-4-8/h1-6H
InChIKeySMUZGJKUUBLEFK-UHFFFAOYSA-N
MW162.22 g/mol
LogP2.21
Rot. Bonds1

About 5-thiophen-3-ylpyrimidine

5-thiophen-3-ylpyrimidine (PubChem CID 818973) has the molecular formula C8H6N2S and a molecular weight of 162.22 g/mol. Its IUPAC name is 5-thiophen-3-ylpyrimidine.

Molecular Properties

Compound Name5-thiophen-3-ylpyrimidine
PubChem CID818973
Molecular FormulaC8H6N2S
Molecular Weight162.22 g/mol
Exact Mass162.03
IUPAC Name5-thiophen-3-ylpyrimidine
SMILESc1ncc(-c2ccsc2)cn1
InChIInChI=1S/C8H6N2S/c1-2-11-5-7(1)8-3-9-6-10-4-8/h1-6H
InChIKeySMUZGJKUUBLEFK-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 5-thiophen-3-ylpyrimidine?
The IUPAC name of 5-thiophen-3-ylpyrimidine (CID 818973) is 5-thiophen-3-ylpyrimidine.
What is the SMILES notation for 5-thiophen-3-ylpyrimidine?
The canonical SMILES for 5-thiophen-3-ylpyrimidine is c1ncc(-c2ccsc2)cn1.
What is the InChIKey of 5-thiophen-3-ylpyrimidine?
The InChIKey is SMUZGJKUUBLEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S/c1-2-11-5-7(1)8-3-9-6-10-4-8/h1-6H.
What are the key properties of 5-thiophen-3-ylpyrimidine?
5-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 5-thiophen-3-ylpyrimidine is sourced from PubChem (CID 818973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).