(4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one

C16H15FN2O2 — CID 143198712

IUPAC(4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
SMILESC/C=c1/c(=O)[nH]c(-c2ccccc2OC)n/c1=C/C=C/F
InChIInChI=1S/C16H15FN2O2/c1-3-11-13(8-6-10-17)18-15(19-16(11)20)12-7-4-5-9-14(12)21-2/h3-10H,1-2H3,(H,18,19,20)/b10-6+,11-3+,13-8+
InChIKeyAPORLAACOZOMKX-BOLJHGPZSA-N
MW286.31 g/mol
LogP1.51
Rot. Bonds3

About (4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one

(4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 143198712) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID143198712
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
SMILESC/C=c1/c(=O)[nH]c(-c2ccccc2OC)n/c1=C/C=C/F
InChIInChI=1S/C16H15FN2O2/c1-3-11-13(8-6-10-17)18-15(19-16(11)20)12-7-4-5-9-14(12)21-2/h3-10H,1-2H3,(H,18,19,20)/b10-6+,11-3+,13-8+
InChIKeyAPORLAACOZOMKX-BOLJHGPZSA-N
XLogP1.51
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of (4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one (CID 143198712) is (4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for (4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for (4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one is C/C=c1/c(=O)[nH]c(-c2ccccc2OC)n/c1=C/C=C/F.
What is the InChIKey of (4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is APORLAACOZOMKX-BOLJHGPZSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-3-11-13(8-6-10-17)18-15(19-16(11)20)12-7-4-5-9-14(12)21-2/h3-10H,1-2H3,(H,18,19,20)/b10-6+,11-3+,13-8+.
What are the key properties of (4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one?
(4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 286.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-4-[(E)-3-fluoroprop-2-enylidene]-2-(2-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 143198712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).