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

C18H13F2IN2O2 — CID 21089188

IUPAC6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(OCc2ccc(F)cc2)ncn1Cc1cccc(F)c1
InChIInChI=1S/C18H13F2IN2O2/c19-14-6-4-12(5-7-14)10-25-17-16(21)18(24)23(11-22-17)9-13-2-1-3-15(20)8-13/h1-8,11H,9-10H2
InChIKeyGEYGEPXQEUKPSM-UHFFFAOYSA-N
MW454.21 g/mol
LogP3.75
Rot. Bonds5

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

6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-one (PubChem CID 21089188) has the molecular formula C18H13F2IN2O2 and a molecular weight of 454.21 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-one
PubChem CID21089188
Molecular FormulaC18H13F2IN2O2
Molecular Weight454.21 g/mol
Exact Mass454.00
IUPAC Name6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(OCc2ccc(F)cc2)ncn1Cc1cccc(F)c1
InChIInChI=1S/C18H13F2IN2O2/c19-14-6-4-12(5-7-14)10-25-17-16(21)18(24)23(11-22-17)9-13-2-1-3-15(20)8-13/h1-8,11H,9-10H2
InChIKeyGEYGEPXQEUKPSM-UHFFFAOYSA-N
XLogP3.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.21
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-one?
The IUPAC name of 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-one (CID 21089188) is 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-one?
The canonical SMILES for 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-one is O=c1c(I)c(OCc2ccc(F)cc2)ncn1Cc1cccc(F)c1.
What is the InChIKey of 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-one?
The InChIKey is GEYGEPXQEUKPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2IN2O2/c19-14-6-4-12(5-7-14)10-25-17-16(21)18(24)23(11-22-17)9-13-2-1-3-15(20)8-13/h1-8,11H,9-10H2.
What are the key properties of 6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-one?
6-[(4-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-one has a molecular weight of 454.21 g/mol, XLogP of 3.75, 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-iodopyrimidin-4-one is sourced from PubChem (CID 21089188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).