2-bromo-4-chloro-6-phenylsulfanylpyrimidine

C10H6BrClN2S — CID 102521386

IUPAC2-bromo-4-chloro-6-phenylsulfanylpyrimidine
SMILESClc1cc(Sc2ccccc2)nc(Br)n1
InChIInChI=1S/C10H6BrClN2S/c11-10-13-8(12)6-9(14-10)15-7-4-2-1-3-5-7/h1-6H
InChIKeyWMRIZRYHWUJOQR-UHFFFAOYSA-N
MW301.60 g/mol
LogP4.04
Rot. Bonds2

About 2-bromo-4-chloro-6-phenylsulfanylpyrimidine

2-bromo-4-chloro-6-phenylsulfanylpyrimidine (PubChem CID 102521386) has the molecular formula C10H6BrClN2S and a molecular weight of 301.60 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-phenylsulfanylpyrimidine.

Molecular Properties

Compound Name2-bromo-4-chloro-6-phenylsulfanylpyrimidine
PubChem CID102521386
Molecular FormulaC10H6BrClN2S
Molecular Weight301.60 g/mol
Exact Mass299.91
IUPAC Name2-bromo-4-chloro-6-phenylsulfanylpyrimidine
SMILESClc1cc(Sc2ccccc2)nc(Br)n1
InChIInChI=1S/C10H6BrClN2S/c11-10-13-8(12)6-9(14-10)15-7-4-2-1-3-5-7/h1-6H
InChIKeyWMRIZRYHWUJOQR-UHFFFAOYSA-N
XLogP4.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.60
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-phenylsulfanylpyrimidine?
The IUPAC name of 2-bromo-4-chloro-6-phenylsulfanylpyrimidine (CID 102521386) is 2-bromo-4-chloro-6-phenylsulfanylpyrimidine.
What is the SMILES notation for 2-bromo-4-chloro-6-phenylsulfanylpyrimidine?
The canonical SMILES for 2-bromo-4-chloro-6-phenylsulfanylpyrimidine is Clc1cc(Sc2ccccc2)nc(Br)n1.
What is the InChIKey of 2-bromo-4-chloro-6-phenylsulfanylpyrimidine?
The InChIKey is WMRIZRYHWUJOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2S/c11-10-13-8(12)6-9(14-10)15-7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2-bromo-4-chloro-6-phenylsulfanylpyrimidine?
2-bromo-4-chloro-6-phenylsulfanylpyrimidine has a molecular weight of 301.60 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-phenylsulfanylpyrimidine is sourced from PubChem (CID 102521386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).