2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one

C13H11FN2O2 — CID 71916382

IUPAC2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(C=Cc2nccc(=O)[nH]2)cc1F
InChIInChI=1S/C13H11FN2O2/c1-18-11-4-2-9(8-10(11)14)3-5-12-15-7-6-13(17)16-12/h2-8H,1H3,(H,15,16,17)
InChIKeyXIWDBYUDXOOBJR-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.09
Rot. Bonds3

About 2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one

2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one (PubChem CID 71916382) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one
PubChem CID71916382
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(C=Cc2nccc(=O)[nH]2)cc1F
InChIInChI=1S/C13H11FN2O2/c1-18-11-4-2-9(8-10(11)14)3-5-12-15-7-6-13(17)16-12/h2-8H,1H3,(H,15,16,17)
InChIKeyXIWDBYUDXOOBJR-UHFFFAOYSA-N
XLogP2.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one (CID 71916382) is 2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one is COc1ccc(C=Cc2nccc(=O)[nH]2)cc1F.
What is the InChIKey of 2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one?
The InChIKey is XIWDBYUDXOOBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-18-11-4-2-9(8-10(11)14)3-5-12-15-7-6-13(17)16-12/h2-8H,1H3,(H,15,16,17).
What are the key properties of 2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one?
2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one has a molecular weight of 246.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 71916382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).