4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one

C15H15BrN2O — CID 135725535

IUPAC4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(/C=C/c2cccc(Br)c2)cc(=O)[nH]1
InChIInChI=1S/C15H15BrN2O/c1-10(2)15-17-13(9-14(19)18-15)7-6-11-4-3-5-12(16)8-11/h3-10H,1-2H3,(H,17,18,19)/b7-6+
InChIKeyLYYHYWWTQQLRJC-VOTSOKGWSA-N
MW319.20 g/mol
LogP3.83
Rot. Bonds3

About 4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135725535) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135725535
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(/C=C/c2cccc(Br)c2)cc(=O)[nH]1
InChIInChI=1S/C15H15BrN2O/c1-10(2)15-17-13(9-14(19)18-15)7-6-11-4-3-5-12(16)8-11/h3-10H,1-2H3,(H,17,18,19)/b7-6+
InChIKeyLYYHYWWTQQLRJC-VOTSOKGWSA-N
XLogP3.83
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one
CID 135725522
4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 135530342
4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 135725564
4-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 135725534
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
2-amino-6-[(E)-2-(3-bromophenyl)ethenyl]-3-methylpyrimidin-4-one
CID 16730557
2-amino-4-(2-phenylethenyl)-1H-pyrimidin-6-one
CID 137217157
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
2-[(E)-2-(3-bromophenyl)ethenyl]quinoline
CID 5378705
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671
4-[(Z)-2-(3-bromophenyl)ethenyl]pyridine
CID 10038211

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 135725535) is 4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(/C=C/c2cccc(Br)c2)cc(=O)[nH]1.
What is the InChIKey of 4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is LYYHYWWTQQLRJC-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10(2)15-17-13(9-14(19)18-15)7-6-11-4-3-5-12(16)8-11/h3-10H,1-2H3,(H,17,18,19)/b7-6+.
What are the key properties of 4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 319.20 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135725535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).