5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one

C11H8F2N2O — CID 10536984

IUPAC5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2ccc(F)cc2)ncc1F
InChIInChI=1S/C11H8F2N2O/c12-8-3-1-7(2-4-8)5-10-14-6-9(13)11(16)15-10/h1-4,6H,5H2,(H,14,15,16)
InChIKeyRYECPZAUICSJPS-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.64
Rot. Bonds2

About 5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one

5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 10536984) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one
PubChem CID10536984
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2ccc(F)cc2)ncc1F
InChIInChI=1S/C11H8F2N2O/c12-8-3-1-7(2-4-8)5-10-14-6-9(13)11(16)15-10/h1-4,6H,5H2,(H,14,15,16)
InChIKeyRYECPZAUICSJPS-UHFFFAOYSA-N
XLogP1.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one (CID 10536984) is 5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one is O=c1[nH]c(Cc2ccc(F)cc2)ncc1F.
What is the InChIKey of 5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is RYECPZAUICSJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-8-3-1-7(2-4-8)5-10-14-6-9(13)11(16)15-10/h1-4,6H,5H2,(H,14,15,16).
What are the key properties of 5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one?
5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 222.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-fluorophenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 10536984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).