6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one

C12H8Br2N2O2 — CID 135500049

IUPAC6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(/C=C/c2cc(Br)cc(Br)c2O)[nH]1
InChIInChI=1S/C12H8Br2N2O2/c13-8-5-7(11(17)10(14)6-8)1-2-9-3-4-15-12(18)16-9/h1-6,17H,(H,15,16,18)/b2-1+
InChIKeyZYSKZNZSOQHHST-OWOJBTEDSA-N
MW372.02 g/mol
LogP3.17
Rot. Bonds2

About 6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one

6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one (PubChem CID 135500049) has the molecular formula C12H8Br2N2O2 and a molecular weight of 372.02 g/mol. Its IUPAC name is 6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one
PubChem CID135500049
Molecular FormulaC12H8Br2N2O2
Molecular Weight372.02 g/mol
Exact Mass369.90
IUPAC Name6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(/C=C/c2cc(Br)cc(Br)c2O)[nH]1
InChIInChI=1S/C12H8Br2N2O2/c13-8-5-7(11(17)10(14)6-8)1-2-9-3-4-15-12(18)16-9/h1-6,17H,(H,15,16,18)/b2-1+
InChIKeyZYSKZNZSOQHHST-OWOJBTEDSA-N
XLogP3.17
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.02
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 131238888
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CID 135458806
2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol
CID 169454368
2,4-dibromo-6-(3-bromoprop-1-enyl)phenol
CID 169476608
(5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 6296555
2-(3-aminoprop-1-enyl)-4,6-dibromophenol
CID 169464646
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 3090604
2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol
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2,4-dibromo-6-[(E)-heptadec-1-enyl]phenol
CID 10767322
2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol
CID 59075126
3,5,7-tribromo-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 632205

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one (CID 135500049) is 6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one is O=c1nccc(/C=C/c2cc(Br)cc(Br)c2O)[nH]1.
What is the InChIKey of 6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one?
The InChIKey is ZYSKZNZSOQHHST-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H8Br2N2O2/c13-8-5-7(11(17)10(14)6-8)1-2-9-3-4-15-12(18)16-9/h1-6,17H,(H,15,16,18)/b2-1+.
What are the key properties of 6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one?
6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one has a molecular weight of 372.02 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 135500049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).