2-azido-5-bromopyrimidine

C4H2BrN5 — CID 80583459

IUPAC2-azido-5-bromopyrimidine
SMILES[N-]=[N+]=Nc1ncc(Br)cn1
InChIInChI=1S/C4H2BrN5/c5-3-1-7-4(8-2-3)9-10-6/h1-2H
InChIKeyLWNBYVTWYQENKY-UHFFFAOYSA-N
MW200.00 g/mol
LogP2.18
Rot. Bonds1

About 2-azido-5-bromopyrimidine

2-azido-5-bromopyrimidine (PubChem CID 80583459) has the molecular formula C4H2BrN5 and a molecular weight of 200.00 g/mol. Its IUPAC name is 2-azido-5-bromopyrimidine.

Molecular Properties

Compound Name2-azido-5-bromopyrimidine
PubChem CID80583459
Molecular FormulaC4H2BrN5
Molecular Weight200.00 g/mol
Exact Mass198.95
IUPAC Name2-azido-5-bromopyrimidine
SMILES[N-]=[N+]=Nc1ncc(Br)cn1
InChIInChI=1S/C4H2BrN5/c5-3-1-7-4(8-2-3)9-10-6/h1-2H
InChIKeyLWNBYVTWYQENKY-UHFFFAOYSA-N
XLogP2.18
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.00
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-Bromopyrimidine
CID 78344
2-Bromopyrimidine
CID 78345
5-Fluoropyrimidine
CID 69605
2-Amino-5-bromopyrimidine
CID 231310
5-Methylpyrimidine
CID 74859
5-Iodopyrimidine
CID 1201421
4-Amino-5-bromopyrimidine
CID 10261576
5-Bromo-2,4-dichloropyrimidine
CID 289973
5-Bromo-2-chloropyrimidine
CID 606665
5-Bromo-2-(methylsulfanyl)pyrimidine
CID 4738564
5-Bromopyrimidine-2-carbonitrile
CID 686546
5-Bromo-2-(piperidin-1-yl)pyrimidine
CID 3614682

Frequently Asked Questions

What is the IUPAC name of 2-azido-5-bromopyrimidine?
The IUPAC name of 2-azido-5-bromopyrimidine (CID 80583459) is 2-azido-5-bromopyrimidine.
What is the SMILES notation for 2-azido-5-bromopyrimidine?
The canonical SMILES for 2-azido-5-bromopyrimidine is [N-]=[N+]=Nc1ncc(Br)cn1.
What is the InChIKey of 2-azido-5-bromopyrimidine?
The InChIKey is LWNBYVTWYQENKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrN5/c5-3-1-7-4(8-2-3)9-10-6/h1-2H.
What are the key properties of 2-azido-5-bromopyrimidine?
2-azido-5-bromopyrimidine has a molecular weight of 200.00 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-5-bromopyrimidine is sourced from PubChem (CID 80583459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).