5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione

C12H11N5O3 — CID 137199513

IUPAC5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1ccc(/N=N/c2c(N)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H11N5O3/c1-6(18)7-2-4-8(5-3-7)16-17-9-10(13)14-12(20)15-11(9)19/h2-5H,1H3,(H4,13,14,15,19,20)/b17-16+
InChIKeyLCOKWWCTVXHBHZ-WUKNDPDISA-N
MW273.25 g/mol
LogP1.26
Rot. Bonds3

About 5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione

5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione (PubChem CID 137199513) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione
PubChem CID137199513
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1ccc(/N=N/c2c(N)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H11N5O3/c1-6(18)7-2-4-8(5-3-7)16-17-9-10(13)14-12(20)15-11(9)19/h2-5H,1H3,(H4,13,14,15,19,20)/b17-16+
InChIKeyLCOKWWCTVXHBHZ-WUKNDPDISA-N
XLogP1.26
TPSA133.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 137199518
4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide
CID 136651148
6-amino-5-[(2-fluorophenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 135672517
5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 2863650
4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one
CID 172639926
bis[4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenyl]methanone
CID 135461066
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 3650612
4-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzoate
CID 2068575
5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 135997650
methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone)
CID 159441223
1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216733

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione (CID 137199513) is 5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione is CC(=O)c1ccc(/N=N/c2c(N)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione?
The InChIKey is LCOKWWCTVXHBHZ-WUKNDPDISA-N. The full InChI is InChI=1S/C12H11N5O3/c1-6(18)7-2-4-8(5-3-7)16-17-9-10(13)14-12(20)15-11(9)19/h2-5H,1H3,(H4,13,14,15,19,20)/b17-16+.
What are the key properties of 5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione?
5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione has a molecular weight of 273.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 137199513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).