5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one

C8H9N5O2 — CID 170484940

IUPAC5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
SMILES[N-]=[N+]=NCCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C8H9N5O2/c9-13-12-4-2-1-3-6-7(14)10-5-11-8(6)15/h1,3,5H,2,4H2,(H2,10,11,14,15)
InChIKeyQFVNVQHXFLUEQM-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.19
Rot. Bonds4

About 5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one

5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 170484940) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID170484940
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
SMILES[N-]=[N+]=NCCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C8H9N5O2/c9-13-12-4-2-1-3-6-7(14)10-5-11-8(6)15/h1,3,5H,2,4H2,(H2,10,11,14,15)
InChIKeyQFVNVQHXFLUEQM-UHFFFAOYSA-N
XLogP1.19
TPSA114.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one (CID 170484940) is 5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one is [N-]=[N+]=NCCC=Cc1c(O)nc[nH]c1=O.
What is the InChIKey of 5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is QFVNVQHXFLUEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c9-13-12-4-2-1-3-6-7(14)10-5-11-8(6)15/h1,3,5H,2,4H2,(H2,10,11,14,15).
What are the key properties of 5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one?
5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 207.19 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 170484940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).