2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C10H6F2N2O2 — CID 63613424

IUPAC2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccc(F)c(F)c2)[nH]1
InChIInChI=1S/C10H6F2N2O2/c11-6-2-1-5(3-7(6)12)10-13-8(15)4-9(16)14-10/h1-4H,(H2,13,14,15,16)
InChIKeyBGSSVEBJXDNOCY-UHFFFAOYSA-N
MW224.17 g/mol
LogP1.42
Rot. Bonds1

About 2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63613424) has the molecular formula C10H6F2N2O2 and a molecular weight of 224.17 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63613424
Molecular FormulaC10H6F2N2O2
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccc(F)c(F)c2)[nH]1
InChIInChI=1S/C10H6F2N2O2/c11-6-2-1-5(3-7(6)12)10-13-8(15)4-9(16)14-10/h1-4H,(H2,13,14,15,16)
InChIKeyBGSSVEBJXDNOCY-UHFFFAOYSA-N
XLogP1.42
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-difluorophenyl)-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-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 63613424) is 2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(-c2ccc(F)c(F)c2)[nH]1.
What is the InChIKey of 2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is BGSSVEBJXDNOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2/c11-6-2-1-5(3-7(6)12)10-13-8(15)4-9(16)14-10/h1-4H,(H2,13,14,15,16).
What are the key properties of 2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 224.17 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63613424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).