5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione

C17H12Br2N4O3 — CID 135460528

IUPAC5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/c3ncc(Br)cc3Br)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H12Br2N4O3/c1-9-2-4-11(5-3-9)23-16(25)12(15(24)22-17(23)26)8-21-14-13(19)6-10(18)7-20-14/h2-8,25H,1H3,(H,22,24,26)/b21-8+
InChIKeyJKBGSNWLCJRUOA-ODCIPOBUSA-N
MW480.12 g/mol
LogP3.21
Rot. Bonds3

About 5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione

5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione (PubChem CID 135460528) has the molecular formula C17H12Br2N4O3 and a molecular weight of 480.12 g/mol. Its IUPAC name is 5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
PubChem CID135460528
Molecular FormulaC17H12Br2N4O3
Molecular Weight480.12 g/mol
Exact Mass477.93
IUPAC Name5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/c3ncc(Br)cc3Br)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H12Br2N4O3/c1-9-2-4-11(5-3-9)23-16(25)12(15(24)22-17(23)26)8-21-14-13(19)6-10(18)7-20-14/h2-8,25H,1H3,(H,22,24,26)/b21-8+
InChIKeyJKBGSNWLCJRUOA-ODCIPOBUSA-N
XLogP3.21
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.12
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-2-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-one
CID 135467516
6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione
CID 135512469
2-(4-chlorophenyl)-4-[(3,5-dibromo-2-pyridinyl)iminomethyl]-5-methyl-1H-pyrazol-3-one
CID 1353192
6-hydroxy-5-[(3-methylphenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione
CID 2840891
4-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 135467521
methyl 2-chloro-5-[[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
CID 135628478
1-(4-bromo-3-methylphenyl)-6-hydroxy-5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]pyrimidine-2,4-dione
CID 4150796
5-[(5-bromoindol-3-ylidene)methyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 136823787
1-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 1402559
5-[(1-benzyl-3,5-dimethylpyrazol-4-yl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 137120832
5-[(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 137073225
2-[(E)-[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]guanidine
CID 135632095

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione (CID 135460528) is 5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione is Cc1ccc(-n2c(O)c(/C=N/c3ncc(Br)cc3Br)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is JKBGSNWLCJRUOA-ODCIPOBUSA-N. The full InChI is InChI=1S/C17H12Br2N4O3/c1-9-2-4-11(5-3-9)23-16(25)12(15(24)22-17(23)26)8-21-14-13(19)6-10(18)7-20-14/h2-8,25H,1H3,(H,22,24,26)/b21-8+.
What are the key properties of 5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione?
5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 480.12 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 135460528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).