1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione

C22H22F2N2O4 — CID 52936322

IUPAC1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(Cc2ccc(F)cc2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O
InChIInChI=1S/C22H22F2N2O4/c1-14(2)20-19(11-15-3-7-17(23)8-4-15)25(22(28)26(29)21(20)27)13-30-12-16-5-9-18(24)10-6-16/h3-10,14,29H,11-13H2,1-2H3
InChIKeyYEFYEFPAELHZFR-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.41
Rot. Bonds7

About 1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione

1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 52936322) has the molecular formula C22H22F2N2O4 and a molecular weight of 416.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID52936322
Molecular FormulaC22H22F2N2O4
Molecular Weight416.42 g/mol
Exact Mass416.15
IUPAC Name1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(Cc2ccc(F)cc2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O
InChIInChI=1S/C22H22F2N2O4/c1-14(2)20-19(11-15-3-7-17(23)8-4-15)25(22(28)26(29)21(20)27)13-30-12-16-5-9-18(24)10-6-16/h3-10,14,29H,11-13H2,1-2H3
InChIKeyYEFYEFPAELHZFR-UHFFFAOYSA-N
XLogP3.41
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione (CID 52936322) is 1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione is CC(C)c1c(Cc2ccc(F)cc2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is YEFYEFPAELHZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O4/c1-14(2)20-19(11-15-3-7-17(23)8-4-15)25(22(28)26(29)21(20)27)13-30-12-16-5-9-18(24)10-6-16/h3-10,14,29H,11-13H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione?
1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 416.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 52936322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).