5-[(4-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione

C16H11BrN4O3 — CID 1356479

IUPAC5-[(4-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/N=N/c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN4O3/c17-10-6-8-11(9-7-10)19-20-13-14(22)18-16(24)21(15(13)23)12-4-2-1-3-5-12/h1-9,23H,(H,18,22,24)/b20-19+
InChIKeyYEZMMRPGKVZAGR-FMQUCBEESA-N
MW387.19 g/mol
LogP3.41
Rot. Bonds3

About 5-[(4-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione

5-[(4-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione (PubChem CID 1356479) has the molecular formula C16H11BrN4O3 and a molecular weight of 387.19 g/mol. Its IUPAC name is 5-[(4-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
PubChem CID1356479
Molecular FormulaC16H11BrN4O3
Molecular Weight387.19 g/mol
Exact Mass386.00
IUPAC Name5-[(4-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/N=N/c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN4O3/c17-10-6-8-11(9-7-10)19-20-13-14(22)18-16(24)21(15(13)23)12-4-2-1-3-5-12/h1-9,23H,(H,18,22,24)/b20-19+
InChIKeyYEZMMRPGKVZAGR-FMQUCBEESA-N
XLogP3.41
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.19
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-[(4-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione (CID 1356479) is 5-[(4-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/N=N/c1ccc(Br)cc1.
What is the InChIKey of 5-[(4-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The InChIKey is YEZMMRPGKVZAGR-FMQUCBEESA-N. The full InChI is InChI=1S/C16H11BrN4O3/c17-10-6-8-11(9-7-10)19-20-13-14(22)18-16(24)21(15(13)23)12-4-2-1-3-5-12/h1-9,23H,(H,18,22,24)/b20-19+.
What are the key properties of 5-[(4-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
5-[(4-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione has a molecular weight of 387.19 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)diazenyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 1356479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).