5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine

C8H4Br2N4 — CID 10903167

IUPAC5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine
SMILESBrc1cnc(-c2ncc(Br)cn2)nc1
InChIInChI=1S/C8H4Br2N4/c9-5-1-11-7(12-2-5)8-13-3-6(10)4-14-8/h1-4H
InChIKeyKPRAKBLCEALHKQ-UHFFFAOYSA-N
MW315.96 g/mol
LogP2.46
Rot. Bonds1

About 5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine

5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine (PubChem CID 10903167) has the molecular formula C8H4Br2N4 and a molecular weight of 315.96 g/mol. Its IUPAC name is 5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine
PubChem CID10903167
Molecular FormulaC8H4Br2N4
Molecular Weight315.96 g/mol
Exact Mass313.88
IUPAC Name5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine
SMILESBrc1cnc(-c2ncc(Br)cn2)nc1
InChIInChI=1S/C8H4Br2N4/c9-5-1-11-7(12-2-5)8-13-3-6(10)4-14-8/h1-4H
InChIKeyKPRAKBLCEALHKQ-UHFFFAOYSA-N
XLogP2.46
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.96
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine?
The IUPAC name of 5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine (CID 10903167) is 5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine is Brc1cnc(-c2ncc(Br)cn2)nc1.
What is the InChIKey of 5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine?
The InChIKey is KPRAKBLCEALHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N4/c9-5-1-11-7(12-2-5)8-13-3-6(10)4-14-8/h1-4H.
What are the key properties of 5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine?
5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine has a molecular weight of 315.96 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromopyrimidin-2-yl)pyrimidine is sourced from PubChem (CID 10903167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).