4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine

C9H7BrN2S2 — CID 2820534

IUPAC4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2ccc(Br)s2)n1
InChIInChI=1S/C9H7BrN2S2/c1-13-9-11-5-4-6(12-9)7-2-3-8(10)14-7/h2-5H,1H3
InChIKeyOUIMCZHMLVNCIH-UHFFFAOYSA-N
MW287.21 g/mol
LogP3.69
Rot. Bonds2

About 4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine

4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine (PubChem CID 2820534) has the molecular formula C9H7BrN2S2 and a molecular weight of 287.21 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine
PubChem CID2820534
Molecular FormulaC9H7BrN2S2
Molecular Weight287.21 g/mol
Exact Mass285.92
IUPAC Name4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2ccc(Br)s2)n1
InChIInChI=1S/C9H7BrN2S2/c1-13-9-11-5-4-6(12-9)7-2-3-8(10)14-7/h2-5H,1H3
InChIKeyOUIMCZHMLVNCIH-UHFFFAOYSA-N
XLogP3.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine (CID 2820534) is 4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine is CSc1nccc(-c2ccc(Br)s2)n1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine?
The InChIKey is OUIMCZHMLVNCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2S2/c1-13-9-11-5-4-6(12-9)7-2-3-8(10)14-7/h2-5H,1H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine?
4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine has a molecular weight of 287.21 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 2820534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).