5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine

C11H10BrClN2S — CID 66292949

IUPAC5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine
SMILESCCCc1nc(-c2cccs2)nc(Cl)c1Br
InChIInChI=1S/C11H10BrClN2S/c1-2-4-7-9(12)10(13)15-11(14-7)8-5-3-6-16-8/h3,5-6H,2,4H2,1H3
InChIKeyBKZITWHMKNJTSV-UHFFFAOYSA-N
MW317.64 g/mol
LogP4.57
Rot. Bonds3

About 5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine

5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine (PubChem CID 66292949) has the molecular formula C11H10BrClN2S and a molecular weight of 317.64 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine
PubChem CID66292949
Molecular FormulaC11H10BrClN2S
Molecular Weight317.64 g/mol
Exact Mass315.94
IUPAC Name5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine
SMILESCCCc1nc(-c2cccs2)nc(Cl)c1Br
InChIInChI=1S/C11H10BrClN2S/c1-2-4-7-9(12)10(13)15-11(14-7)8-5-3-6-16-8/h3,5-6H,2,4H2,1H3
InChIKeyBKZITWHMKNJTSV-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.64
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine (CID 66292949) is 5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine is CCCc1nc(-c2cccs2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine?
The InChIKey is BKZITWHMKNJTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2S/c1-2-4-7-9(12)10(13)15-11(14-7)8-5-3-6-16-8/h3,5-6H,2,4H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine?
5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine has a molecular weight of 317.64 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine is sourced from PubChem (CID 66292949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).