5-Bromo-2-(piperazin-1-yl)pyrimidine

• CAS: 99931-82-5
• Catalog Number: ACM99931825
• Category: Bromine Series
• Molecular Weight: 214.27
• Molecular Formula: C₈H₁₁BrN₄
• Synonyms: Maybridge1_006751, Oprea1_405948, BB_SC-4437, 5-Bromo-2-piperazin-1-yl-pyrimidine, B2359G1, CID2757175, 99931-82-5
• IUPAC Name: 5-bromo-2-piperazin-1-ylpyrimidine
• Canonical SMILES: C1CN(CCN1)C2=NC=C(C=N2)Br
• InChI Key: YHWLBBPOKRHVAR-UHFFFAOYSA-N
• Boiling Point: 383.4ºC at 760 mmHg
• Melting Point: 77ºC
• Flash Point: 185.7ºC
• Density: 1.516 g/cm³
• Exact Mass: 242.01700
• Hazard Statements: Xi: Irritant;Xn: Harmful
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C8H11BrN4.

What is the molecular weight of the compound?

The molecular weight is 243.10 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 5-bromo-2-piperazin-1-ylpyrimidine.

What is the InChI of the compound?

The InChI is InChI=1S/C8H11BrN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2.

What is the InChIKey of the compound?

The InChIKey is YHWLBBPOKRHVAR-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1CN(CCN1)C2=NC=C(C=N2)Br.

What is the CAS number of the compound?

The CAS number is 99931-82-5.

What is the European Community (EC) number of the compound?

The European Community (EC) number is 671-758-3.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 0.7.

Is the compound canonicalized?

Yes, the compound is canonicalized.