2-bromo-4-phenylsulfanylpyrimidine

C10H7BrN2S — CID 102521385

IUPAC2-bromo-4-phenylsulfanylpyrimidine
SMILESBrc1nccc(Sc2ccccc2)n1
InChIInChI=1S/C10H7BrN2S/c11-10-12-7-6-9(13-10)14-8-4-2-1-3-5-8/h1-7H
InChIKeyDFDJEWPPWONMIE-UHFFFAOYSA-N
MW267.15 g/mol
LogP3.39
Rot. Bonds2

About 2-bromo-4-phenylsulfanylpyrimidine

2-bromo-4-phenylsulfanylpyrimidine (PubChem CID 102521385) has the molecular formula C10H7BrN2S and a molecular weight of 267.15 g/mol. Its IUPAC name is 2-bromo-4-phenylsulfanylpyrimidine.

Molecular Properties

Compound Name2-bromo-4-phenylsulfanylpyrimidine
PubChem CID102521385
Molecular FormulaC10H7BrN2S
Molecular Weight267.15 g/mol
Exact Mass265.95
IUPAC Name2-bromo-4-phenylsulfanylpyrimidine
SMILESBrc1nccc(Sc2ccccc2)n1
InChIInChI=1S/C10H7BrN2S/c11-10-12-7-6-9(13-10)14-8-4-2-1-3-5-8/h1-7H
InChIKeyDFDJEWPPWONMIE-UHFFFAOYSA-N
XLogP3.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-phenylsulfanylpyrimidine?
The IUPAC name of 2-bromo-4-phenylsulfanylpyrimidine (CID 102521385) is 2-bromo-4-phenylsulfanylpyrimidine.
What is the SMILES notation for 2-bromo-4-phenylsulfanylpyrimidine?
The canonical SMILES for 2-bromo-4-phenylsulfanylpyrimidine is Brc1nccc(Sc2ccccc2)n1.
What is the InChIKey of 2-bromo-4-phenylsulfanylpyrimidine?
The InChIKey is DFDJEWPPWONMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2S/c11-10-12-7-6-9(13-10)14-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-bromo-4-phenylsulfanylpyrimidine?
2-bromo-4-phenylsulfanylpyrimidine has a molecular weight of 267.15 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-phenylsulfanylpyrimidine is sourced from PubChem (CID 102521385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).