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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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).