4-thiophen-2-ylpyrimidine

C8H6N2S — CID 818968

IUPAC4-thiophen-2-ylpyrimidine
SMILESc1csc(-c2ccncn2)c1
InChIInChI=1S/C8H6N2S/c1-2-8(11-5-1)7-3-4-9-6-10-7/h1-6H
InChIKeyBWFAPQRLXWNZLX-UHFFFAOYSA-N
MW162.22 g/mol
LogP2.21
Rot. Bonds1

About 4-thiophen-2-ylpyrimidine

4-thiophen-2-ylpyrimidine (PubChem CID 818968) has the molecular formula C8H6N2S and a molecular weight of 162.22 g/mol. Its IUPAC name is 4-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4-thiophen-2-ylpyrimidine
PubChem CID818968
Molecular FormulaC8H6N2S
Molecular Weight162.22 g/mol
Exact Mass162.03
IUPAC Name4-thiophen-2-ylpyrimidine
SMILESc1csc(-c2ccncn2)c1
InChIInChI=1S/C8H6N2S/c1-2-8(11-5-1)7-3-4-9-6-10-7/h1-6H
InChIKeyBWFAPQRLXWNZLX-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 4-thiophen-2-ylpyrimidine?
The IUPAC name of 4-thiophen-2-ylpyrimidine (CID 818968) is 4-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4-thiophen-2-ylpyrimidine?
The canonical SMILES for 4-thiophen-2-ylpyrimidine is c1csc(-c2ccncn2)c1.
What is the InChIKey of 4-thiophen-2-ylpyrimidine?
The InChIKey is BWFAPQRLXWNZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S/c1-2-8(11-5-1)7-3-4-9-6-10-7/h1-6H.
What are the key properties of 4-thiophen-2-ylpyrimidine?
4-thiophen-2-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 4-thiophen-2-ylpyrimidine is sourced from PubChem (CID 818968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).