5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C13H12BrN3O3 — CID 2369567

IUPAC5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccc(Br)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H12BrN3O3/c1-16-11(18)10(12(19)17(2)13(16)20)7-15-9-5-3-8(14)4-6-9/h3-7,18H,1-2H3/b15-7+
InChIKeyLXLHAZRHINERCT-VIZOYTHASA-N
MW338.16 g/mol
LogP1.30
Rot. Bonds2

About 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2369567) has the molecular formula C13H12BrN3O3 and a molecular weight of 338.16 g/mol. Its IUPAC name is 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2369567
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16 g/mol
Exact Mass337.01
IUPAC Name5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccc(Br)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H12BrN3O3/c1-16-11(18)10(12(19)17(2)13(16)20)7-15-9-5-3-8(14)4-6-9/h3-7,18H,1-2H3/b15-7+
InChIKeyLXLHAZRHINERCT-VIZOYTHASA-N
XLogP1.30
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 2369567) is 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(/C=N/c2ccc(Br)cc2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is LXLHAZRHINERCT-VIZOYTHASA-N. The full InChI is InChI=1S/C13H12BrN3O3/c1-16-11(18)10(12(19)17(2)13(16)20)7-15-9-5-3-8(14)4-6-9/h3-7,18H,1-2H3/b15-7+.
What are the key properties of 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 338.16 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2369567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).