5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride

C8H12BrClN4 — CID 17141140

IUPAC5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride
SMILESBrc1cnc(N2CCNCC2)nc1.Cl
InChIInChI=1S/C8H11BrN4.ClH/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13;/h5-6,10H,1-4H2;1H
InChIKeyHNOXJQKRBDCFQA-UHFFFAOYSA-N
MW279.57 g/mol
LogP1.07
Rot. Bonds1

About 5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride

5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride (PubChem CID 17141140) has the molecular formula C8H12BrClN4 and a molecular weight of 279.57 g/mol. Its IUPAC name is 5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride
PubChem CID17141140
Molecular FormulaC8H12BrClN4
Molecular Weight279.57 g/mol
Exact Mass277.99
IUPAC Name5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride
SMILESBrc1cnc(N2CCNCC2)nc1.Cl
InChIInChI=1S/C8H11BrN4.ClH/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13;/h5-6,10H,1-4H2;1H
InChIKeyHNOXJQKRBDCFQA-UHFFFAOYSA-N
XLogP1.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.57
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride?
The IUPAC name of 5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride (CID 17141140) is 5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride.
What is the SMILES notation for 5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride?
The canonical SMILES for 5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride is Brc1cnc(N2CCNCC2)nc1.Cl.
What is the InChIKey of 5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride?
The InChIKey is HNOXJQKRBDCFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4.ClH/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13;/h5-6,10H,1-4H2;1H.
What are the key properties of 5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride?
5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride has a molecular weight of 279.57 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-piperazin-1-ylpyrimidine;hydrochloride is sourced from PubChem (CID 17141140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).