6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one

C19H16F2N2O2 — CID 21089189

IUPAC6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one
SMILESCc1c(OCc2ccc(F)cc2)ncn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C19H16F2N2O2/c1-13-18(25-11-14-5-7-16(20)8-6-14)22-12-23(19(13)24)10-15-3-2-4-17(21)9-15/h2-9,12H,10-11H2,1H3
InChIKeyLECIPSLMGKWQGT-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.46
Rot. Bonds5

About 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one

6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one (PubChem CID 21089189) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one
PubChem CID21089189
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one
SMILESCc1c(OCc2ccc(F)cc2)ncn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C19H16F2N2O2/c1-13-18(25-11-14-5-7-16(20)8-6-14)22-12-23(19(13)24)10-15-3-2-4-17(21)9-15/h2-9,12H,10-11H2,1H3
InChIKeyLECIPSLMGKWQGT-UHFFFAOYSA-N
XLogP3.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.46
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-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one?
The IUPAC name of 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one (CID 21089189) is 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one?
The canonical SMILES for 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one is Cc1c(OCc2ccc(F)cc2)ncn(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one?
The InChIKey is LECIPSLMGKWQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-13-18(25-11-14-5-7-16(20)8-6-14)22-12-23(19(13)24)10-15-3-2-4-17(21)9-15/h2-9,12H,10-11H2,1H3.
What are the key properties of 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one?
6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one has a molecular weight of 342.35 g/mol, XLogP of 3.46, 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-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one is sourced from PubChem (CID 21089189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).