4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine

C12H9N3S2 — CID 2739891

IUPAC4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2ccc(-c3cccs3)s2)n1
InChIInChI=1S/C12H9N3S2/c13-12-14-6-5-8(15-12)9-3-4-11(17-9)10-2-1-7-16-10/h1-7H,(H2,13,14,15)
InChIKeyJWEPHJMZSUTZLQ-UHFFFAOYSA-N
MW259.36 g/mol
LogP3.52
Rot. Bonds2

About 4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine

4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine (PubChem CID 2739891) has the molecular formula C12H9N3S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine
PubChem CID2739891
Molecular FormulaC12H9N3S2
Molecular Weight259.36 g/mol
Exact Mass259.02
IUPAC Name4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2ccc(-c3cccs3)s2)n1
InChIInChI=1S/C12H9N3S2/c13-12-14-6-5-8(15-12)9-3-4-11(17-9)10-2-1-7-16-10/h1-7H,(H2,13,14,15)
InChIKeyJWEPHJMZSUTZLQ-UHFFFAOYSA-N
XLogP3.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine 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-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine (CID 2739891) is 4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine is Nc1nccc(-c2ccc(-c3cccs3)s2)n1.
What is the InChIKey of 4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine?
The InChIKey is JWEPHJMZSUTZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S2/c13-12-14-6-5-8(15-12)9-3-4-11(17-9)10-2-1-7-16-10/h1-7H,(H2,13,14,15).
What are the key properties of 4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine?
4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine has a molecular weight of 259.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 2739891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).