5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione

C8H9N5O2 — CID 170484938

IUPAC5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione
SMILES[N-]=[N+]=NCCC=Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H9N5O2/c9-13-11-4-2-1-3-6-5-10-8(15)12-7(6)14/h1,3,5H,2,4H2,(H2,10,12,14,15)
InChIKeyUAOPGNZUMZJXCU-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.78
Rot. Bonds4

About 5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione

5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione (PubChem CID 170484938) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione
PubChem CID170484938
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione
SMILES[N-]=[N+]=NCCC=Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H9N5O2/c9-13-11-4-2-1-3-6-5-10-8(15)12-7(6)14/h1,3,5H,2,4H2,(H2,10,12,14,15)
InChIKeyUAOPGNZUMZJXCU-UHFFFAOYSA-N
XLogP0.78
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-1H-pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione
CID 150870731
5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
CID 14914593
5-methanehydrazonoyl-1H-pyrimidine-2,4-dione
CID 137221150
2-(4-azidobut-1-enyl)-5-methylbenzaldehyde
CID 170485179
1-azido-2-[(E)-4-azidobut-1-enyl]benzene
CID 165349366
5-[(Z)-3-oxobut-1-enyl]-1H-pyrimidine-2,4-dione
CID 92527239
2-(4-azidobut-1-enyl)-5-chlorobenzoic acid
CID 170485519
3-(4-azidobut-1-enyl)-2,6-dimethylpyridine
CID 170484988
3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
CID 169461306
8-(4-azidobut-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
CID 170486268
[3-(4-azidobut-1-enyl)-4-chlorophenyl]methanol
CID 170485156
3-(4-azidobut-1-enyl)-2-fluorophenol
CID 170484869

Frequently Asked Questions

What is the IUPAC name of 5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione (CID 170484938) is 5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione is [N-]=[N+]=NCCC=Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione?
The InChIKey is UAOPGNZUMZJXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c9-13-11-4-2-1-3-6-5-10-8(15)12-7(6)14/h1,3,5H,2,4H2,(H2,10,12,14,15).
What are the key properties of 5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione?
5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione has a molecular weight of 207.19 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170484938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).