5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine

C8H4Br2N4S2 — CID 4132825

IUPAC5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine
SMILESBrc1cnc(SSc2ncc(Br)cn2)nc1
InChIInChI=1S/C8H4Br2N4S2/c9-5-1-11-7(12-2-5)15-16-8-13-3-6(10)4-14-8/h1-4H
InChIKeyWUVREEPPMGSVOP-UHFFFAOYSA-N
MW380.09 g/mol
LogP3.59
Rot. Bonds3

About 5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine

5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine (PubChem CID 4132825) has the molecular formula C8H4Br2N4S2 and a molecular weight of 380.09 g/mol. Its IUPAC name is 5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine
PubChem CID4132825
Molecular FormulaC8H4Br2N4S2
Molecular Weight380.09 g/mol
Exact Mass377.82
IUPAC Name5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine
SMILESBrc1cnc(SSc2ncc(Br)cn2)nc1
InChIInChI=1S/C8H4Br2N4S2/c9-5-1-11-7(12-2-5)15-16-8-13-3-6(10)4-14-8/h1-4H
InChIKeyWUVREEPPMGSVOP-UHFFFAOYSA-N
XLogP3.59
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.09
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

5-Bromopyrimidine
CID 78344
5-Bromo-2-(methylsulfanyl)pyrimidine
CID 4738564
5-Bromo-2-(piperidin-1-yl)pyrimidine
CID 3614682
2,5-Dibromopyrimidine
CID 10955588
Bis(2-pyrimidyl) disulfide
CID 267441
2,2'-Bipyrimidine, 5,5'-dibromo-
CID 10903167
5-Bromo-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 23602265
Di(2-pyrimidinyl) sulfide
CID 13357482
5-Bromo-2,5'-bipyrimidine
CID 66872038
5-Pyrimidyl-Disulfid
CID 85845936
5-Bromo-2-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidine
CID 119103506
Pyrimidine, 5-bromo-2-[(bromodifluoromethyl)thio]-
CID 14621862

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine?
The IUPAC name of 5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine (CID 4132825) is 5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine?
The canonical SMILES for 5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine is Brc1cnc(SSc2ncc(Br)cn2)nc1.
What is the InChIKey of 5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine?
The InChIKey is WUVREEPPMGSVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N4S2/c9-5-1-11-7(12-2-5)15-16-8-13-3-6(10)4-14-8/h1-4H.
What are the key properties of 5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine?
5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine has a molecular weight of 380.09 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-bromopyrimidin-2-yl)disulfanyl]pyrimidine is sourced from PubChem (CID 4132825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).