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

C11H14BrClN2S — CID 66292446

IUPAC5-bromo-4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine
SMILESClc1nc(CSC2CCCCC2)ncc1Br
InChIInChI=1S/C11H14BrClN2S/c12-9-6-14-10(15-11(9)13)7-16-8-4-2-1-3-5-8/h6,8H,1-5,7H2
InChIKeyWTFCSXRXQYCBHS-UHFFFAOYSA-N
MW321.67 g/mol
LogP4.46
Rot. Bonds3

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

5-bromo-4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine (PubChem CID 66292446) has the molecular formula C11H14BrClN2S and a molecular weight of 321.67 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine
PubChem CID66292446
Molecular FormulaC11H14BrClN2S
Molecular Weight321.67 g/mol
Exact Mass319.97
IUPAC Name5-bromo-4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine
SMILESClc1nc(CSC2CCCCC2)ncc1Br
InChIInChI=1S/C11H14BrClN2S/c12-9-6-14-10(15-11(9)13)7-16-8-4-2-1-3-5-8/h6,8H,1-5,7H2
InChIKeyWTFCSXRXQYCBHS-UHFFFAOYSA-N
XLogP4.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.67
LogP ≤ 54.46
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-(cyclohexylsulfanylmethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine (CID 66292446) is 5-bromo-4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine is Clc1nc(CSC2CCCCC2)ncc1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine?
The InChIKey is WTFCSXRXQYCBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2S/c12-9-6-14-10(15-11(9)13)7-16-8-4-2-1-3-5-8/h6,8H,1-5,7H2.
What are the key properties of 5-bromo-4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine?
5-bromo-4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine has a molecular weight of 321.67 g/mol, XLogP of 4.46, 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-(cyclohexylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 66292446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).