5-(2,4-difluorophenyl)-1H-pyrimidin-6-one

C10H6F2N2O — CID 103695279

IUPAC5-(2,4-difluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1-c1ccc(F)cc1F
InChIInChI=1S/C10H6F2N2O/c11-6-1-2-7(9(12)3-6)8-4-13-5-14-10(8)15/h1-5H,(H,13,14,15)
InChIKeyYDJJRJUZIUXDPO-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.72
Rot. Bonds1

About 5-(2,4-difluorophenyl)-1H-pyrimidin-6-one

5-(2,4-difluorophenyl)-1H-pyrimidin-6-one (PubChem CID 103695279) has the molecular formula C10H6F2N2O and a molecular weight of 208.17 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-1H-pyrimidin-6-one
PubChem CID103695279
Molecular FormulaC10H6F2N2O
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name5-(2,4-difluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1-c1ccc(F)cc1F
InChIInChI=1S/C10H6F2N2O/c11-6-1-2-7(9(12)3-6)8-4-13-5-14-10(8)15/h1-5H,(H,13,14,15)
InChIKeyYDJJRJUZIUXDPO-UHFFFAOYSA-N
XLogP1.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2,4-difluorophenyl)-1H-pyrimidin-6-one (CID 103695279) is 5-(2,4-difluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2,4-difluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2,4-difluorophenyl)-1H-pyrimidin-6-one is O=c1[nH]cncc1-c1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is YDJJRJUZIUXDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O/c11-6-1-2-7(9(12)3-6)8-4-13-5-14-10(8)15/h1-5H,(H,13,14,15).
What are the key properties of 5-(2,4-difluorophenyl)-1H-pyrimidin-6-one?
5-(2,4-difluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 208.17 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103695279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).