6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione

C11H8BrN3O3 — CID 135688130

IUPAC6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(/N=C/c2cc(Br)ccc2O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H8BrN3O3/c12-7-1-2-8(16)6(3-7)5-13-9-4-10(17)15-11(18)14-9/h1-5,16H,(H2,14,15,17,18)/b13-5+
InChIKeyWAXLTXIRNLJSJK-WLRTZDKTSA-N
MW310.11 g/mol
LogP1.28
Rot. Bonds2

About 6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione

6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione (PubChem CID 135688130) has the molecular formula C11H8BrN3O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
PubChem CID135688130
Molecular FormulaC11H8BrN3O3
Molecular Weight310.11 g/mol
Exact Mass308.97
IUPAC Name6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(/N=C/c2cc(Br)ccc2O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H8BrN3O3/c12-7-1-2-8(16)6(3-7)5-13-9-4-10(17)15-11(18)14-9/h1-5,16H,(H2,14,15,17,18)/b13-5+
InChIKeyWAXLTXIRNLJSJK-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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Related Compounds

2-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135516474
(E)-5-{(5-Bromo-3-fluoro-2-hydroxybenzylidene)-amino}pyrimidine-2,4(1H,3H)-dione
CID 137700927
5-Bromo-2-hydroxybenzaldehyde (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135458781
5-Bromo-2-hydroxybenzaldehyde (5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135689680
3-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136259763
3-((5-Bromo-2-hydroxybenzylidene)amino)-6-methyl-4-phenylpyridin-2(1h)-one
CID 155908554
6-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
CID 823504
5-[(5-bromo-2-hydroxybenzylidene)amino]-2,4(1H,3H)-pyrimidinedione
CID 298369
6-amino-5-{[(E)-(4-bromo-2-hydroxyphenyl)methylidene]amino}-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 4571086
6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one
CID 135500049
6-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one
CID 141595107
5-[(3-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
CID 162519994

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione (CID 135688130) is 6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione is O=c1cc(/N=C/c2cc(Br)ccc2O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
The InChIKey is WAXLTXIRNLJSJK-WLRTZDKTSA-N. The full InChI is InChI=1S/C11H8BrN3O3/c12-7-1-2-8(16)6(3-7)5-13-9-4-10(17)15-11(18)14-9/h1-5,16H,(H2,14,15,17,18)/b13-5+.
What are the key properties of 6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-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 6-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135688130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).