2-azido-5-nitropyrimidine

C4H2N6O2 — CID 6917249

IUPAC2-azido-5-nitropyrimidine
SMILES[N-]=[N+]=Nc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C4H2N6O2/c5-9-8-4-6-1-3(2-7-4)10(11)12/h1-2H
InChIKeyHKUZUYCFDFEUHL-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.33
Rot. Bonds2

About 2-azido-5-nitropyrimidine

2-azido-5-nitropyrimidine (PubChem CID 6917249) has the molecular formula C4H2N6O2 and a molecular weight of 166.10 g/mol. Its IUPAC name is 2-azido-5-nitropyrimidine.

Molecular Properties

Compound Name2-azido-5-nitropyrimidine
PubChem CID6917249
Molecular FormulaC4H2N6O2
Molecular Weight166.10 g/mol
Exact Mass166.02
IUPAC Name2-azido-5-nitropyrimidine
SMILES[N-]=[N+]=Nc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C4H2N6O2/c5-9-8-4-6-1-3(2-7-4)10(11)12/h1-2H
InChIKeyHKUZUYCFDFEUHL-UHFFFAOYSA-N
XLogP1.33
TPSA117.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-5-nitropyrimidine?
The IUPAC name of 2-azido-5-nitropyrimidine (CID 6917249) is 2-azido-5-nitropyrimidine.
What is the SMILES notation for 2-azido-5-nitropyrimidine?
The canonical SMILES for 2-azido-5-nitropyrimidine is [N-]=[N+]=Nc1ncc([N+](=O)[O-])cn1.
What is the InChIKey of 2-azido-5-nitropyrimidine?
The InChIKey is HKUZUYCFDFEUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N6O2/c5-9-8-4-6-1-3(2-7-4)10(11)12/h1-2H.
What are the key properties of 2-azido-5-nitropyrimidine?
2-azido-5-nitropyrimidine has a molecular weight of 166.10 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-5-nitropyrimidine is sourced from PubChem (CID 6917249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).