4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide

C14H18N6O4S — CID 2313975

IUPAC4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/N=N/c2c(N)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H18N6O4S/c1-3-20(4-2)25(23,24)10-7-5-9(6-8-10)18-19-11-12(15)16-14(22)17-13(11)21/h5-8H,3-4H2,1-2H3,(H4,15,16,17,21,22)/b19-18+
InChIKeyXHVJNXWORGNLJQ-VHEBQXMUSA-N
MW366.40 g/mol
LogP1.09
Rot. Bonds6

About 4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide

4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide (PubChem CID 2313975) has the molecular formula C14H18N6O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide
PubChem CID2313975
Molecular FormulaC14H18N6O4S
Molecular Weight366.40 g/mol
Exact Mass366.11
IUPAC Name4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/N=N/c2c(N)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H18N6O4S/c1-3-20(4-2)25(23,24)10-7-5-9(6-8-10)18-19-11-12(15)16-14(22)17-13(11)21/h5-8H,3-4H2,1-2H3,(H4,15,16,17,21,22)/b19-18+
InChIKeyXHVJNXWORGNLJQ-VHEBQXMUSA-N
XLogP1.09
TPSA153.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide
CID 145949437
4-((6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)diazenyl)benzenesulfonamide
CID 271063
N,N-Diacetyl-4-(piperidin-1-ylazo)-benzenesulfonamide
CID 1127291
(E)-4-(2-(4-hydroxy-6-oxo-2-thioxo-1,6-dihydropyrimidin-5(2H)-ylidene)hydrazinyl)benzenesulfonamide
CID 1943596
5-(2-(4-(morpholinosulfonyl)phenyl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2314995
3-[(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidenepyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide
CID 5211598
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 162676287
4-[(2Z)-2-(2-amino-4,6-dioxo-1H-pyrimidin-5-ylidene)hydrazinyl]benzenesulfonamide
CID 1623874
6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 2247648
N-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 4552417
p-(2,4-Diamino-6-hydroxy-5-pyrimidinylazo)benzenesulfonamide
CID 135442544
4-[(4-Aminophenyl)sulfonyl]piperazine-2,6-dione
CID 593501

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide (CID 2313975) is 4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(/N=N/c2c(N)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide?
The InChIKey is XHVJNXWORGNLJQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H18N6O4S/c1-3-20(4-2)25(23,24)10-7-5-9(6-8-10)18-19-11-12(15)16-14(22)17-13(11)21/h5-8H,3-4H2,1-2H3,(H4,15,16,17,21,22)/b19-18+.
What are the key properties of 4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide?
4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide has a molecular weight of 366.40 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 2313975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).