6-azido-5-fluoro-1H-pyrimidin-2-one

C4H2FN5O — CID 22316397

IUPAC6-azido-5-fluoro-1H-pyrimidin-2-one
SMILES[N-]=[N+]=Nc1[nH]c(=O)ncc1F
InChIInChI=1S/C4H2FN5O/c5-2-1-7-4(11)8-3(2)9-10-6/h1H,(H,7,8,11)
InChIKeyAZQLFPRJECXTJK-UHFFFAOYSA-N
MW155.09 g/mol
LogP0.85
Rot. Bonds1

About 6-azido-5-fluoro-1H-pyrimidin-2-one

6-azido-5-fluoro-1H-pyrimidin-2-one (PubChem CID 22316397) has the molecular formula C4H2FN5O and a molecular weight of 155.09 g/mol. Its IUPAC name is 6-azido-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-azido-5-fluoro-1H-pyrimidin-2-one
PubChem CID22316397
Molecular FormulaC4H2FN5O
Molecular Weight155.09 g/mol
Exact Mass155.02
IUPAC Name6-azido-5-fluoro-1H-pyrimidin-2-one
SMILES[N-]=[N+]=Nc1[nH]c(=O)ncc1F
InChIInChI=1S/C4H2FN5O/c5-2-1-7-4(11)8-3(2)9-10-6/h1H,(H,7,8,11)
InChIKeyAZQLFPRJECXTJK-UHFFFAOYSA-N
XLogP0.85
TPSA94.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.09
LogP ≤ 50.85
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 6-azido-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 6-azido-5-fluoro-1H-pyrimidin-2-one (CID 22316397) is 6-azido-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-azido-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 6-azido-5-fluoro-1H-pyrimidin-2-one is [N-]=[N+]=Nc1[nH]c(=O)ncc1F.
What is the InChIKey of 6-azido-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is AZQLFPRJECXTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2FN5O/c5-2-1-7-4(11)8-3(2)9-10-6/h1H,(H,7,8,11).
What are the key properties of 6-azido-5-fluoro-1H-pyrimidin-2-one?
6-azido-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 155.09 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 22316397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).