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

C18H22N2O3 — CID 135725564

IUPAC4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOc1cc(/C=C/c2cc(=O)[nH]c(C(C)C)n2)ccc1OC
InChIInChI=1S/C18H22N2O3/c1-5-23-16-10-13(7-9-15(16)22-4)6-8-14-11-17(21)20-18(19-14)12(2)3/h6-12H,5H2,1-4H3,(H,19,20,21)/b8-6+
InChIKeyNFTBUEKBGBGAOI-SOFGYWHQSA-N
MW314.39 g/mol
LogP3.47
Rot. Bonds6

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

4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135725564) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135725564
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOc1cc(/C=C/c2cc(=O)[nH]c(C(C)C)n2)ccc1OC
InChIInChI=1S/C18H22N2O3/c1-5-23-16-10-13(7-9-15(16)22-4)6-8-14-11-17(21)20-18(19-14)12(2)3/h6-12H,5H2,1-4H3,(H,19,20,21)/b8-6+
InChIKeyNFTBUEKBGBGAOI-SOFGYWHQSA-N
XLogP3.47
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135413589
4-[2-(3,4-dimethoxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 2833133
4-ethenyl-2-ethoxy-1-methoxybenzene
CID 11665489
3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole
CID 46947067
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 8778842
3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603194
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline
CID 7945993
ethyl 2-[2-methoxy-4-[(Z)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]phenoxy]acetate
CID 70687190
(Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092940
3-(3-ethoxy-4-methoxyphenyl)-N-(1-pyridin-4-ylethyl)prop-2-enamide
CID 78775696

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 135725564) is 4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one is CCOc1cc(/C=C/c2cc(=O)[nH]c(C(C)C)n2)ccc1OC.
What is the InChIKey of 4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NFTBUEKBGBGAOI-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-5-23-16-10-13(7-9-15(16)22-4)6-8-14-11-17(21)20-18(19-14)12(2)3/h6-12H,5H2,1-4H3,(H,19,20,21)/b8-6+.
What are the key properties of 4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 314.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135725564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).