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

C11H8BrN3O3 — CID 4075919

IUPAC5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/c2ccc(Br)cc2)c(=O)[nH]1
InChIInChI=1S/C11H8BrN3O3/c12-6-1-3-7(4-2-6)13-5-8-9(16)14-11(18)15-10(8)17/h1-5H,(H3,14,15,16,17,18)/b13-5+
InChIKeyZOIRCKKXCZLSQV-WLRTZDKTSA-N
MW310.11 g/mol
LogP1.28
Rot. Bonds2

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

5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 4075919) has the molecular formula C11H8BrN3O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID4075919
Molecular FormulaC11H8BrN3O3
Molecular Weight310.11 g/mol
Exact Mass308.97
IUPAC Name5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/c2ccc(Br)cc2)c(=O)[nH]1
InChIInChI=1S/C11H8BrN3O3/c12-6-1-3-7(4-2-6)13-5-8-9(16)14-11(18)15-10(8)17/h1-5H,(H3,14,15,16,17,18)/b13-5+
InChIKeyZOIRCKKXCZLSQV-WLRTZDKTSA-N
XLogP1.28
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 4075919) is 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/C=N/c2ccc(Br)cc2)c(=O)[nH]1.
What is the InChIKey of 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is ZOIRCKKXCZLSQV-WLRTZDKTSA-N. The full InChI is InChI=1S/C11H8BrN3O3/c12-6-1-3-7(4-2-6)13-5-8-9(16)14-11(18)15-10(8)17/h1-5H,(H3,14,15,16,17,18)/b13-5+.
What are the key properties of 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 310.11 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4075919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).