5-bromo-2-pyrimidin-2-ylpyrimidine

C8H5BrN4 — CID 11230120

IUPAC5-bromo-2-pyrimidin-2-ylpyrimidine
SMILESBrc1cnc(-c2ncccn2)nc1
InChIInChI=1S/C8H5BrN4/c9-6-4-12-8(13-5-6)7-10-2-1-3-11-7/h1-5H
InChIKeyOPCDTJMNGGGEHK-UHFFFAOYSA-N
MW237.06 g/mol
LogP1.70
Rot. Bonds1

About 5-bromo-2-pyrimidin-2-ylpyrimidine

5-bromo-2-pyrimidin-2-ylpyrimidine (PubChem CID 11230120) has the molecular formula C8H5BrN4 and a molecular weight of 237.06 g/mol. Its IUPAC name is 5-bromo-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-pyrimidin-2-ylpyrimidine
PubChem CID11230120
Molecular FormulaC8H5BrN4
Molecular Weight237.06 g/mol
Exact Mass235.97
IUPAC Name5-bromo-2-pyrimidin-2-ylpyrimidine
SMILESBrc1cnc(-c2ncccn2)nc1
InChIInChI=1S/C8H5BrN4/c9-6-4-12-8(13-5-6)7-10-2-1-3-11-7/h1-5H
InChIKeyOPCDTJMNGGGEHK-UHFFFAOYSA-N
XLogP1.70
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 5-bromo-2-pyrimidin-2-ylpyrimidine (CID 11230120) is 5-bromo-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 5-bromo-2-pyrimidin-2-ylpyrimidine is Brc1cnc(-c2ncccn2)nc1.
What is the InChIKey of 5-bromo-2-pyrimidin-2-ylpyrimidine?
The InChIKey is OPCDTJMNGGGEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN4/c9-6-4-12-8(13-5-6)7-10-2-1-3-11-7/h1-5H.
What are the key properties of 5-bromo-2-pyrimidin-2-ylpyrimidine?
5-bromo-2-pyrimidin-2-ylpyrimidine has a molecular weight of 237.06 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 11230120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).