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

C18H14F2N2O2 — CID 21089220

IUPAC6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1cc(OCc2ccc(F)cc2)ncn1Cc1ccc(F)cc1
InChIInChI=1S/C18H14F2N2O2/c19-15-5-1-13(2-6-15)10-22-12-21-17(9-18(22)23)24-11-14-3-7-16(20)8-4-14/h1-9,12H,10-11H2
InChIKeyKJKWDYDLFJOLEC-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.15
Rot. Bonds5

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

6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 21089220) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID21089220
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1cc(OCc2ccc(F)cc2)ncn1Cc1ccc(F)cc1
InChIInChI=1S/C18H14F2N2O2/c19-15-5-1-13(2-6-15)10-22-12-21-17(9-18(22)23)24-11-14-3-7-16(20)8-4-14/h1-9,12H,10-11H2
InChIKeyKJKWDYDLFJOLEC-UHFFFAOYSA-N
XLogP3.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one (CID 21089220) is 6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one is O=c1cc(OCc2ccc(F)cc2)ncn1Cc1ccc(F)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is KJKWDYDLFJOLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c19-15-5-1-13(2-6-15)10-22-12-21-17(9-18(22)23)24-11-14-3-7-16(20)8-4-14/h1-9,12H,10-11H2.
What are the key properties of 6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one?
6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one has a molecular weight of 328.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 21089220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).