5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

C20H19FN2O3 — CID 56960634

IUPAC5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCCc1c(-c2ccc(F)cc2)n(COCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H19FN2O3/c1-2-17-18(15-8-10-16(21)11-9-15)23(20(25)22-19(17)24)13-26-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,22,24,25)
InChIKeyDXYVOONFDSVBNG-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.08
Rot. Bonds6

About 5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 56960634) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID56960634
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCCc1c(-c2ccc(F)cc2)n(COCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H19FN2O3/c1-2-17-18(15-8-10-16(21)11-9-15)23(20(25)22-19(17)24)13-26-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,22,24,25)
InChIKeyDXYVOONFDSVBNG-UHFFFAOYSA-N
XLogP3.08
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 56960634) is 5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is CCc1c(-c2ccc(F)cc2)n(COCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is DXYVOONFDSVBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-2-17-18(15-8-10-16(21)11-9-15)23(20(25)22-19(17)24)13-26-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,22,24,25).
What are the key properties of 5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 354.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(4-fluorophenyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 56960634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).