2-thiophen-2-ylpyrimidine

C8H6N2S — CID 818965

IUPAC2-thiophen-2-ylpyrimidine
SMILESc1cnc(-c2cccs2)nc1
InChIInChI=1S/C8H6N2S/c1-3-7(11-6-1)8-9-4-2-5-10-8/h1-6H
InChIKeyROZONHXKGSVJFN-UHFFFAOYSA-N
MW162.22 g/mol
LogP2.21
Rot. Bonds1

About 2-thiophen-2-ylpyrimidine

2-thiophen-2-ylpyrimidine (PubChem CID 818965) has the molecular formula C8H6N2S and a molecular weight of 162.22 g/mol. Its IUPAC name is 2-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2-thiophen-2-ylpyrimidine
PubChem CID818965
Molecular FormulaC8H6N2S
Molecular Weight162.22 g/mol
Exact Mass162.03
IUPAC Name2-thiophen-2-ylpyrimidine
SMILESc1cnc(-c2cccs2)nc1
InChIInChI=1S/C8H6N2S/c1-3-7(11-6-1)8-9-4-2-5-10-8/h1-6H
InChIKeyROZONHXKGSVJFN-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-2-ylpyrimidine?
The IUPAC name of 2-thiophen-2-ylpyrimidine (CID 818965) is 2-thiophen-2-ylpyrimidine.
What is the SMILES notation for 2-thiophen-2-ylpyrimidine?
The canonical SMILES for 2-thiophen-2-ylpyrimidine is c1cnc(-c2cccs2)nc1.
What is the InChIKey of 2-thiophen-2-ylpyrimidine?
The InChIKey is ROZONHXKGSVJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S/c1-3-7(11-6-1)8-9-4-2-5-10-8/h1-6H.
What are the key properties of 2-thiophen-2-ylpyrimidine?
2-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 2-thiophen-2-ylpyrimidine is sourced from PubChem (CID 818965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).