2-tert-butyl-4-thiophen-2-ylpyrimidine

C12H14N2S — CID 58930423

IUPAC2-tert-butyl-4-thiophen-2-ylpyrimidine
SMILESCC(C)(C)c1nccc(-c2cccs2)n1
InChIInChI=1S/C12H14N2S/c1-12(2,3)11-13-7-6-9(14-11)10-5-4-8-15-10/h4-8H,1-3H3
InChIKeyQFDLJNFEYNKEHS-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.50
Rot. Bonds1

About 2-tert-butyl-4-thiophen-2-ylpyrimidine

2-tert-butyl-4-thiophen-2-ylpyrimidine (PubChem CID 58930423) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-tert-butyl-4-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-thiophen-2-ylpyrimidine
PubChem CID58930423
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name2-tert-butyl-4-thiophen-2-ylpyrimidine
SMILESCC(C)(C)c1nccc(-c2cccs2)n1
InChIInChI=1S/C12H14N2S/c1-12(2,3)11-13-7-6-9(14-11)10-5-4-8-15-10/h4-8H,1-3H3
InChIKeyQFDLJNFEYNKEHS-UHFFFAOYSA-N
XLogP3.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-4-thiophen-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-thiophen-2-ylpyrimidine?
The IUPAC name of 2-tert-butyl-4-thiophen-2-ylpyrimidine (CID 58930423) is 2-tert-butyl-4-thiophen-2-ylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4-thiophen-2-ylpyrimidine?
The canonical SMILES for 2-tert-butyl-4-thiophen-2-ylpyrimidine is CC(C)(C)c1nccc(-c2cccs2)n1.
What is the InChIKey of 2-tert-butyl-4-thiophen-2-ylpyrimidine?
The InChIKey is QFDLJNFEYNKEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-12(2,3)11-13-7-6-9(14-11)10-5-4-8-15-10/h4-8H,1-3H3.
What are the key properties of 2-tert-butyl-4-thiophen-2-ylpyrimidine?
2-tert-butyl-4-thiophen-2-ylpyrimidine has a molecular weight of 218.32 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-thiophen-2-ylpyrimidine is sourced from PubChem (CID 58930423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).