5-bromo-4-cyclopentylsulfanylpyrimidine

C9H11BrN2S — CID 66319175

IUPAC5-bromo-4-cyclopentylsulfanylpyrimidine
SMILESBrc1cncnc1SC1CCCC1
InChIInChI=1S/C9H11BrN2S/c10-8-5-11-6-12-9(8)13-7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyKMPWQJZLALHUQG-UHFFFAOYSA-N
MW259.17 g/mol
LogP3.27
Rot. Bonds2

About 5-bromo-4-cyclopentylsulfanylpyrimidine

5-bromo-4-cyclopentylsulfanylpyrimidine (PubChem CID 66319175) has the molecular formula C9H11BrN2S and a molecular weight of 259.17 g/mol. Its IUPAC name is 5-bromo-4-cyclopentylsulfanylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-cyclopentylsulfanylpyrimidine
PubChem CID66319175
Molecular FormulaC9H11BrN2S
Molecular Weight259.17 g/mol
Exact Mass257.98
IUPAC Name5-bromo-4-cyclopentylsulfanylpyrimidine
SMILESBrc1cncnc1SC1CCCC1
InChIInChI=1S/C9H11BrN2S/c10-8-5-11-6-12-9(8)13-7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyKMPWQJZLALHUQG-UHFFFAOYSA-N
XLogP3.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopentylsulfanylpyrimidine?
The IUPAC name of 5-bromo-4-cyclopentylsulfanylpyrimidine (CID 66319175) is 5-bromo-4-cyclopentylsulfanylpyrimidine.
What is the SMILES notation for 5-bromo-4-cyclopentylsulfanylpyrimidine?
The canonical SMILES for 5-bromo-4-cyclopentylsulfanylpyrimidine is Brc1cncnc1SC1CCCC1.
What is the InChIKey of 5-bromo-4-cyclopentylsulfanylpyrimidine?
The InChIKey is KMPWQJZLALHUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2S/c10-8-5-11-6-12-9(8)13-7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 5-bromo-4-cyclopentylsulfanylpyrimidine?
5-bromo-4-cyclopentylsulfanylpyrimidine has a molecular weight of 259.17 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopentylsulfanylpyrimidine is sourced from PubChem (CID 66319175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).