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

C11H9BrN4O3 — CID 4615917

IUPAC5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCc1cc(Br)ccc1/N=N/c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H9BrN4O3/c1-5-4-6(12)2-3-7(5)15-16-8-9(17)13-11(19)14-10(8)18/h2-4H,1H3,(H3,13,14,17,18,19)/b16-15+
InChIKeyIZAGSUKNVAMHEW-FOCLMDBBSA-N
MW325.12 g/mol
LogP2.26
Rot. Bonds2

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

5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 4615917) has the molecular formula C11H9BrN4O3 and a molecular weight of 325.12 g/mol. Its IUPAC name is 5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID4615917
Molecular FormulaC11H9BrN4O3
Molecular Weight325.12 g/mol
Exact Mass323.99
IUPAC Name5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCc1cc(Br)ccc1/N=N/c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H9BrN4O3/c1-5-4-6(12)2-3-7(5)15-16-8-9(17)13-11(19)14-10(8)18/h2-4H,1H3,(H3,13,14,17,18,19)/b16-15+
InChIKeyIZAGSUKNVAMHEW-FOCLMDBBSA-N
XLogP2.26
TPSA110.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 52.26
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-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 4615917) is 5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione is Cc1cc(Br)ccc1/N=N/c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is IZAGSUKNVAMHEW-FOCLMDBBSA-N. The full InChI is InChI=1S/C11H9BrN4O3/c1-5-4-6(12)2-3-7(5)15-16-8-9(17)13-11(19)14-10(8)18/h2-4H,1H3,(H3,13,14,17,18,19)/b16-15+.
What are the key properties of 5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 325.12 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4615917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).