5-bromo-4-chloro-2-(ethylsulfanylmethyl)pyrimidine

C7H8BrClN2S — CID 66292241

IUPAC5-bromo-4-chloro-2-(ethylsulfanylmethyl)pyrimidine
SMILESCCSCc1ncc(Br)c(Cl)n1
InChIInChI=1S/C7H8BrClN2S/c1-2-12-4-6-10-3-5(8)7(9)11-6/h3H,2,4H2,1H3
InChIKeyAFAAAKNCDMPMPR-UHFFFAOYSA-N
MW267.58 g/mol
LogP3.15
Rot. Bonds3

About 5-bromo-4-chloro-2-(ethylsulfanylmethyl)pyrimidine

5-bromo-4-chloro-2-(ethylsulfanylmethyl)pyrimidine (PubChem CID 66292241) has the molecular formula C7H8BrClN2S and a molecular weight of 267.58 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(ethylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(ethylsulfanylmethyl)pyrimidine
PubChem CID66292241
Molecular FormulaC7H8BrClN2S
Molecular Weight267.58 g/mol
Exact Mass265.93
IUPAC Name5-bromo-4-chloro-2-(ethylsulfanylmethyl)pyrimidine
SMILESCCSCc1ncc(Br)c(Cl)n1
InChIInChI=1S/C7H8BrClN2S/c1-2-12-4-6-10-3-5(8)7(9)11-6/h3H,2,4H2,1H3
InChIKeyAFAAAKNCDMPMPR-UHFFFAOYSA-N
XLogP3.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.58
LogP ≤ 53.15
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-2-(ethylsulfanylmethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(ethylsulfanylmethyl)pyrimidine (CID 66292241) is 5-bromo-4-chloro-2-(ethylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(ethylsulfanylmethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(ethylsulfanylmethyl)pyrimidine is CCSCc1ncc(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4-chloro-2-(ethylsulfanylmethyl)pyrimidine?
The InChIKey is AFAAAKNCDMPMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2S/c1-2-12-4-6-10-3-5(8)7(9)11-6/h3H,2,4H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-(ethylsulfanylmethyl)pyrimidine?
5-bromo-4-chloro-2-(ethylsulfanylmethyl)pyrimidine has a molecular weight of 267.58 g/mol, XLogP of 3.15, 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-2-(ethylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 66292241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).