5-bromo-4-(4-bromophenyl)sulfanylpyrimidine

C10H6Br2N2S — CID 66320526

IUPAC5-bromo-4-(4-bromophenyl)sulfanylpyrimidine
SMILESBrc1ccc(Sc2ncncc2Br)cc1
InChIInChI=1S/C10H6Br2N2S/c11-7-1-3-8(4-2-7)15-10-9(12)5-13-6-14-10/h1-6H
InChIKeyGCNYRTZBLHHFDW-UHFFFAOYSA-N
MW346.05 g/mol
LogP4.15
Rot. Bonds2

About 5-bromo-4-(4-bromophenyl)sulfanylpyrimidine

5-bromo-4-(4-bromophenyl)sulfanylpyrimidine (PubChem CID 66320526) has the molecular formula C10H6Br2N2S and a molecular weight of 346.05 g/mol. Its IUPAC name is 5-bromo-4-(4-bromophenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-(4-bromophenyl)sulfanylpyrimidine
PubChem CID66320526
Molecular FormulaC10H6Br2N2S
Molecular Weight346.05 g/mol
Exact Mass343.86
IUPAC Name5-bromo-4-(4-bromophenyl)sulfanylpyrimidine
SMILESBrc1ccc(Sc2ncncc2Br)cc1
InChIInChI=1S/C10H6Br2N2S/c11-7-1-3-8(4-2-7)15-10-9(12)5-13-6-14-10/h1-6H
InChIKeyGCNYRTZBLHHFDW-UHFFFAOYSA-N
XLogP4.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.05
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine
CID 80893259
4-(5-bromopyrimidin-4-yl)sulfanylquinazoline
CID 66319173
5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine
CID 66320532
4-(4-bromophenyl)sulfanyl-6-chloropyrimidine-5-carbaldehyde
CID 66366965
5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 66319385
5-bromo-4-(4-bromophenyl)sulfanylpyridin-3-amine
CID 103519159
5-bromo-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 66320751
5-bromo-4-cyclopentylsulfanylpyrimidine
CID 66319175
5-(4-bromophenyl)sulfanylpyridin-2-amine
CID 43345331
[3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine
CID 62685365
5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine
CID 66320984
4-(4-bromophenyl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80893337

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-bromophenyl)sulfanylpyrimidine?
The IUPAC name of 5-bromo-4-(4-bromophenyl)sulfanylpyrimidine (CID 66320526) is 5-bromo-4-(4-bromophenyl)sulfanylpyrimidine.
What is the SMILES notation for 5-bromo-4-(4-bromophenyl)sulfanylpyrimidine?
The canonical SMILES for 5-bromo-4-(4-bromophenyl)sulfanylpyrimidine is Brc1ccc(Sc2ncncc2Br)cc1.
What is the InChIKey of 5-bromo-4-(4-bromophenyl)sulfanylpyrimidine?
The InChIKey is GCNYRTZBLHHFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2S/c11-7-1-3-8(4-2-7)15-10-9(12)5-13-6-14-10/h1-6H.
What are the key properties of 5-bromo-4-(4-bromophenyl)sulfanylpyrimidine?
5-bromo-4-(4-bromophenyl)sulfanylpyrimidine has a molecular weight of 346.05 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-bromophenyl)sulfanylpyrimidine is sourced from PubChem (CID 66320526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).