4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one

C15H15ClN2O — CID 135530342

IUPAC4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(C=Cc2ccc(Cl)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H15ClN2O/c1-10(2)15-17-13(9-14(19)18-15)8-5-11-3-6-12(16)7-4-11/h3-10H,1-2H3,(H,17,18,19)
InChIKeyYFCICUOXCHRGDQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.72
Rot. Bonds3

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

4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135530342) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135530342
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(C=Cc2ccc(Cl)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H15ClN2O/c1-10(2)15-17-13(9-14(19)18-15)8-5-11-3-6-12(16)7-4-11/h3-10H,1-2H3,(H,17,18,19)
InChIKeyYFCICUOXCHRGDQ-UHFFFAOYSA-N
XLogP3.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-2-(3-bromophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 135725535
2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one
CID 135725522
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
6-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-2-one
CID 92971867
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
2-amino-4-(2-phenylethenyl)-1H-pyrimidin-6-one
CID 137217157
4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769942
4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955436
4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241209
2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one
CID 136542667
4-(4-amino-2-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578645

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 135530342) is 4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(C=Cc2ccc(Cl)cc2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is YFCICUOXCHRGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10(2)15-17-13(9-14(19)18-15)8-5-11-3-6-12(16)7-4-11/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of 4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 274.75 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135530342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).