6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one

C17H12F2N2O — CID 30868590

IUPAC6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1cc(-c2ccc(F)cc2)ncn1Cc1ccccc1F
InChIInChI=1S/C17H12F2N2O/c18-14-7-5-12(6-8-14)16-9-17(22)21(11-20-16)10-13-3-1-2-4-15(13)19/h1-9,11H,10H2
InChIKeyUFSPXOBEWAQWNV-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.24
Rot. Bonds3

About 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one

6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 30868590) has the molecular formula C17H12F2N2O and a molecular weight of 298.29 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID30868590
Molecular FormulaC17H12F2N2O
Molecular Weight298.29 g/mol
Exact Mass298.09
IUPAC Name6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1cc(-c2ccc(F)cc2)ncn1Cc1ccccc1F
InChIInChI=1S/C17H12F2N2O/c18-14-7-5-12(6-8-14)16-9-17(22)21(11-20-16)10-13-3-1-2-4-15(13)19/h1-9,11H,10H2
InChIKeyUFSPXOBEWAQWNV-UHFFFAOYSA-N
XLogP3.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one (CID 30868590) is 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one is O=c1cc(-c2ccc(F)cc2)ncn1Cc1ccccc1F.
What is the InChIKey of 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is UFSPXOBEWAQWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O/c18-14-7-5-12(6-8-14)16-9-17(22)21(11-20-16)10-13-3-1-2-4-15(13)19/h1-9,11H,10H2.
What are the key properties of 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one?
6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one has a molecular weight of 298.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 30868590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).