2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one

C11H8F2N2O3 — CID 63613094

IUPAC2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccccc2OC(F)F)[nH]1
InChIInChI=1S/C11H8F2N2O3/c12-11(13)18-7-4-2-1-3-6(7)10-14-8(16)5-9(17)15-10/h1-5,11H,(H2,14,15,16,17)
InChIKeyFHJXQOUXBNJOLK-UHFFFAOYSA-N
MW254.19 g/mol
LogP1.74
Rot. Bonds3

About 2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one

2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63613094) has the molecular formula C11H8F2N2O3 and a molecular weight of 254.19 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63613094
Molecular FormulaC11H8F2N2O3
Molecular Weight254.19 g/mol
Exact Mass254.05
IUPAC Name2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccccc2OC(F)F)[nH]1
InChIInChI=1S/C11H8F2N2O3/c12-11(13)18-7-4-2-1-3-6(7)10-14-8(16)5-9(17)15-10/h1-5,11H,(H2,14,15,16,17)
InChIKeyFHJXQOUXBNJOLK-UHFFFAOYSA-N
XLogP1.74
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(difluoromethoxy)phenyl]-4-hydroxy-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-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one (CID 63613094) is 2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(-c2ccccc2OC(F)F)[nH]1.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is FHJXQOUXBNJOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O3/c12-11(13)18-7-4-2-1-3-6(7)10-14-8(16)5-9(17)15-10/h1-5,11H,(H2,14,15,16,17).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one?
2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 254.19 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63613094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).