5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione

C20H17FN2O3 — CID 3814068

IUPAC5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(Cc2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H17FN2O3/c1-14(24)18-13-22(11-15-5-3-2-4-6-15)20(26)23(19(18)25)12-16-7-9-17(21)10-8-16/h2-10,13H,11-12H2,1H3
InChIKeyZEZQMOYXCIVDNR-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.45
Rot. Bonds5

About 5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione

5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 3814068) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
PubChem CID3814068
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(Cc2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H17FN2O3/c1-14(24)18-13-22(11-15-5-3-2-4-6-15)20(26)23(19(18)25)12-16-7-9-17(21)10-8-16/h2-10,13H,11-12H2,1H3
InChIKeyZEZQMOYXCIVDNR-UHFFFAOYSA-N
XLogP2.45
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (CID 3814068) is 5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is CC(=O)c1cn(Cc2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is ZEZQMOYXCIVDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-14(24)18-13-22(11-15-5-3-2-4-6-15)20(26)23(19(18)25)12-16-7-9-17(21)10-8-16/h2-10,13H,11-12H2,1H3.
What are the key properties of 5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 352.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-benzyl-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 3814068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).