5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C11H9BrN4O3 — CID 135455393

IUPAC5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N\Nc2ccc(Br)cc2)c(=O)[nH]1
InChIInChI=1S/C11H9BrN4O3/c12-6-1-3-7(4-2-6)16-13-5-8-9(17)14-11(19)15-10(8)18/h1-5,16H,(H3,14,15,17,18,19)/b13-5-
InChIKeyUSHDOKRLXKZRTL-ACAGNQJTSA-N
MW325.12 g/mol
LogP0.98
Rot. Bonds3

About 5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 135455393) has the molecular formula C11H9BrN4O3 and a molecular weight of 325.12 g/mol. Its IUPAC name is 5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID135455393
Molecular FormulaC11H9BrN4O3
Molecular Weight325.12 g/mol
Exact Mass323.99
IUPAC Name5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N\Nc2ccc(Br)cc2)c(=O)[nH]1
InChIInChI=1S/C11H9BrN4O3/c12-6-1-3-7(4-2-6)16-13-5-8-9(17)14-11(19)15-10(8)18/h1-5,16H,(H3,14,15,17,18,19)/b13-5-
InChIKeyUSHDOKRLXKZRTL-ACAGNQJTSA-N
XLogP0.98
TPSA110.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 135455393) is 5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/C=N\Nc2ccc(Br)cc2)c(=O)[nH]1.
What is the InChIKey of 5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is USHDOKRLXKZRTL-ACAGNQJTSA-N. The full InChI is InChI=1S/C11H9BrN4O3/c12-6-1-3-7(4-2-6)16-13-5-8-9(17)14-11(19)15-10(8)18/h1-5,16H,(H3,14,15,17,18,19)/b13-5-.
What are the key properties of 5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 325.12 g/mol, XLogP of 0.98, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135455393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).