5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine

C12H8N2S2 — CID 71732310

IUPAC5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine
SMILESc1csc(-c2ccc(-c3cncnc3)s2)c1
InChIInChI=1S/C12H8N2S2/c1-2-11(15-5-1)12-4-3-10(16-12)9-6-13-8-14-7-9/h1-8H
InChIKeyZQYHJVIMAOMRKH-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.93
Rot. Bonds2

About 5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine

5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine (PubChem CID 71732310) has the molecular formula C12H8N2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine
PubChem CID71732310
Molecular FormulaC12H8N2S2
Molecular Weight244.34 g/mol
Exact Mass244.01
IUPAC Name5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine
SMILESc1csc(-c2ccc(-c3cncnc3)s2)c1
InChIInChI=1S/C12H8N2S2/c1-2-11(15-5-1)12-4-3-10(16-12)9-6-13-8-14-7-9/h1-8H
InChIKeyZQYHJVIMAOMRKH-UHFFFAOYSA-N
XLogP3.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine?
The IUPAC name of 5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine (CID 71732310) is 5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine.
What is the SMILES notation for 5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine?
The canonical SMILES for 5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine is c1csc(-c2ccc(-c3cncnc3)s2)c1.
What is the InChIKey of 5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine?
The InChIKey is ZQYHJVIMAOMRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2S2/c1-2-11(15-5-1)12-4-3-10(16-12)9-6-13-8-14-7-9/h1-8H.
What are the key properties of 5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine?
5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine has a molecular weight of 244.34 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine is sourced from PubChem (CID 71732310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).