5-bromo-2-(2-methylsulfanylethyl)pyrimidine

C7H9BrN2S — CID 142341457

IUPAC5-bromo-2-(2-methylsulfanylethyl)pyrimidine
SMILESCSCCc1ncc(Br)cn1
InChIInChI=1S/C7H9BrN2S/c1-11-3-2-7-9-4-6(8)5-10-7/h4-5H,2-3H2,1H3
InChIKeyQQQHWVJVVFQNOZ-UHFFFAOYSA-N
MW233.13 g/mol
LogP2.14
Rot. Bonds3

About 5-bromo-2-(2-methylsulfanylethyl)pyrimidine

5-bromo-2-(2-methylsulfanylethyl)pyrimidine (PubChem CID 142341457) has the molecular formula C7H9BrN2S and a molecular weight of 233.13 g/mol. Its IUPAC name is 5-bromo-2-(2-methylsulfanylethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(2-methylsulfanylethyl)pyrimidine
PubChem CID142341457
Molecular FormulaC7H9BrN2S
Molecular Weight233.13 g/mol
Exact Mass231.97
IUPAC Name5-bromo-2-(2-methylsulfanylethyl)pyrimidine
SMILESCSCCc1ncc(Br)cn1
InChIInChI=1S/C7H9BrN2S/c1-11-3-2-7-9-4-6(8)5-10-7/h4-5H,2-3H2,1H3
InChIKeyQQQHWVJVVFQNOZ-UHFFFAOYSA-N
XLogP2.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylsulfanylethyl)pyrimidine?
The IUPAC name of 5-bromo-2-(2-methylsulfanylethyl)pyrimidine (CID 142341457) is 5-bromo-2-(2-methylsulfanylethyl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(2-methylsulfanylethyl)pyrimidine?
The canonical SMILES for 5-bromo-2-(2-methylsulfanylethyl)pyrimidine is CSCCc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-(2-methylsulfanylethyl)pyrimidine?
The InChIKey is QQQHWVJVVFQNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2S/c1-11-3-2-7-9-4-6(8)5-10-7/h4-5H,2-3H2,1H3.
What are the key properties of 5-bromo-2-(2-methylsulfanylethyl)pyrimidine?
5-bromo-2-(2-methylsulfanylethyl)pyrimidine has a molecular weight of 233.13 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylsulfanylethyl)pyrimidine is sourced from PubChem (CID 142341457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).