4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine

C17H11N3S — CID 1485413

IUPAC4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2nccc(-c3cc4ccccc4s3)n2)nc1
InChIInChI=1S/C17H11N3S/c1-2-7-15-12(5-1)11-16(21-15)13-8-10-19-17(20-13)14-6-3-4-9-18-14/h1-11H
InChIKeyKWSGBJHEGZOYPQ-UHFFFAOYSA-N
MW289.36 g/mol
LogP4.42
Rot. Bonds2

About 4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine

4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine (PubChem CID 1485413) has the molecular formula C17H11N3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine
PubChem CID1485413
Molecular FormulaC17H11N3S
Molecular Weight289.36 g/mol
Exact Mass289.07
IUPAC Name4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2nccc(-c3cc4ccccc4s3)n2)nc1
InChIInChI=1S/C17H11N3S/c1-2-7-15-12(5-1)11-16(21-15)13-8-10-19-17(20-13)14-6-3-4-9-18-14/h1-11H
InChIKeyKWSGBJHEGZOYPQ-UHFFFAOYSA-N
XLogP4.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1-benzothiophen-2-yl)-2-pyridin-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 4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine (CID 1485413) is 4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine is c1ccc(-c2nccc(-c3cc4ccccc4s3)n2)nc1.
What is the InChIKey of 4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine?
The InChIKey is KWSGBJHEGZOYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3S/c1-2-7-15-12(5-1)11-16(21-15)13-8-10-19-17(20-13)14-6-3-4-9-18-14/h1-11H.
What are the key properties of 4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine?
4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine has a molecular weight of 289.36 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 1485413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).