5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C12H12N4O3 — CID 135997650

IUPAC5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCc1ccc(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc1C
InChIInChI=1S/C12H12N4O3/c1-6-3-4-8(5-7(6)2)15-16-9-10(17)13-12(19)14-11(9)18/h3-5H,1-2H3,(H3,13,14,17,18,19)/b16-15+
InChIKeyYISBDELCCKBULG-FOCLMDBBSA-N
MW260.25 g/mol
LogP1.80
Rot. Bonds2

About 5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 135997650) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID135997650
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCc1ccc(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc1C
InChIInChI=1S/C12H12N4O3/c1-6-3-4-8(5-7(6)2)15-16-9-10(17)13-12(19)14-11(9)18/h3-5H,1-2H3,(H3,13,14,17,18,19)/b16-15+
InChIKeyYISBDELCCKBULG-FOCLMDBBSA-N
XLogP1.80
TPSA110.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-4-methylbenzoate
CID 2125591
2-chloro-4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzoic acid
CID 4764240
4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide
CID 136651148
5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 4615917
5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 2863650
6-hydroxy-5-[(4-methylphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 766619
1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol
CID 135597429
6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-2-(propylsulfamoyl)phenyl]-3-[propyl(sulfinato)amino]phenyl]diazenyl]-2,4-dioxo-1H-pyrimidine
CID 137156147
N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(2-methylphenoxy)acetamide
CID 2846909
5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 138392083
4-chloro-3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzoic acid
CID 4764242
4-[[4-[[4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2,6-dimethylphenol
CID 136901382

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 135997650) is 5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione is Cc1ccc(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is YISBDELCCKBULG-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-6-3-4-8(5-7(6)2)15-16-9-10(17)13-12(19)14-11(9)18/h3-5H,1-2H3,(H3,13,14,17,18,19)/b16-15+.
What are the key properties of 5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 260.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135997650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).