5-bromo-4-(5-bromothiophen-2-yl)pyrimidine

C8H4Br2N2S — CID 102451216

IUPAC5-bromo-4-(5-bromothiophen-2-yl)pyrimidine
SMILESBrc1ccc(-c2ncncc2Br)s1
InChIInChI=1S/C8H4Br2N2S/c9-5-3-11-4-12-8(5)6-1-2-7(10)13-6/h1-4H
InChIKeyKRPWRNUJJDNTPV-UHFFFAOYSA-N
MW320.01 g/mol
LogP3.73
Rot. Bonds1

About 5-bromo-4-(5-bromothiophen-2-yl)pyrimidine

5-bromo-4-(5-bromothiophen-2-yl)pyrimidine (PubChem CID 102451216) has the molecular formula C8H4Br2N2S and a molecular weight of 320.01 g/mol. Its IUPAC name is 5-bromo-4-(5-bromothiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(5-bromothiophen-2-yl)pyrimidine
PubChem CID102451216
Molecular FormulaC8H4Br2N2S
Molecular Weight320.01 g/mol
Exact Mass317.85
IUPAC Name5-bromo-4-(5-bromothiophen-2-yl)pyrimidine
SMILESBrc1ccc(-c2ncncc2Br)s1
InChIInChI=1S/C8H4Br2N2S/c9-5-3-11-4-12-8(5)6-1-2-7(10)13-6/h1-4H
InChIKeyKRPWRNUJJDNTPV-UHFFFAOYSA-N
XLogP3.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.01
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-bromothiophen-2-yl)pyrimidine?
The IUPAC name of 5-bromo-4-(5-bromothiophen-2-yl)pyrimidine (CID 102451216) is 5-bromo-4-(5-bromothiophen-2-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-(5-bromothiophen-2-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-(5-bromothiophen-2-yl)pyrimidine is Brc1ccc(-c2ncncc2Br)s1.
What is the InChIKey of 5-bromo-4-(5-bromothiophen-2-yl)pyrimidine?
The InChIKey is KRPWRNUJJDNTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2S/c9-5-3-11-4-12-8(5)6-1-2-7(10)13-6/h1-4H.
What are the key properties of 5-bromo-4-(5-bromothiophen-2-yl)pyrimidine?
5-bromo-4-(5-bromothiophen-2-yl)pyrimidine has a molecular weight of 320.01 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-bromothiophen-2-yl)pyrimidine is sourced from PubChem (CID 102451216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).