5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine

C16H9BrN2S2 — CID 118735948

IUPAC5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine
SMILESBrc1ccc(-c2ncncc2-c2csc3ccccc23)s1
InChIInChI=1S/C16H9BrN2S2/c17-15-6-5-14(21-15)16-11(7-18-9-19-16)12-8-20-13-4-2-1-3-10(12)13/h1-9H
InChIKeyWEPDPPVJAYGHPS-UHFFFAOYSA-N
MW373.30 g/mol
LogP5.85
Rot. Bonds2

About 5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine

5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine (PubChem CID 118735948) has the molecular formula C16H9BrN2S2 and a molecular weight of 373.30 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine
PubChem CID118735948
Molecular FormulaC16H9BrN2S2
Molecular Weight373.30 g/mol
Exact Mass371.94
IUPAC Name5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine
SMILESBrc1ccc(-c2ncncc2-c2csc3ccccc23)s1
InChIInChI=1S/C16H9BrN2S2/c17-15-6-5-14(21-15)16-11(7-18-9-19-16)12-8-20-13-4-2-1-3-10(12)13/h1-9H
InChIKeyWEPDPPVJAYGHPS-UHFFFAOYSA-N
XLogP5.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.30
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine?
The IUPAC name of 5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine (CID 118735948) is 5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine?
The canonical SMILES for 5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine is Brc1ccc(-c2ncncc2-c2csc3ccccc23)s1.
What is the InChIKey of 5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine?
The InChIKey is WEPDPPVJAYGHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN2S2/c17-15-6-5-14(21-15)16-11(7-18-9-19-16)12-8-20-13-4-2-1-3-10(12)13/h1-9H.
What are the key properties of 5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine?
5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine has a molecular weight of 373.30 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-yl)-4-(5-bromothiophen-2-yl)pyrimidine is sourced from PubChem (CID 118735948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).