1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione

C13H12FIN2O2 — CID 79788186

IUPAC1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione
SMILESCCn1cc(I)c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C13H12FIN2O2/c1-2-16-8-11(15)12(18)17(13(16)19)7-9-5-3-4-6-10(9)14/h3-6,8H,2,7H2,1H3
InChIKeyPKMJXVVDXDCFFS-UHFFFAOYSA-N
MW374.15 g/mol
LogP1.82
Rot. Bonds3

About 1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione

1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione (PubChem CID 79788186) has the molecular formula C13H12FIN2O2 and a molecular weight of 374.15 g/mol. Its IUPAC name is 1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione
PubChem CID79788186
Molecular FormulaC13H12FIN2O2
Molecular Weight374.15 g/mol
Exact Mass373.99
IUPAC Name1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione
SMILESCCn1cc(I)c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C13H12FIN2O2/c1-2-16-8-11(15)12(18)17(13(16)19)7-9-5-3-4-6-10(9)14/h3-6,8H,2,7H2,1H3
InChIKeyPKMJXVVDXDCFFS-UHFFFAOYSA-N
XLogP1.82
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.15
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-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 1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione (CID 79788186) is 1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione is CCn1cc(I)c(=O)n(Cc2ccccc2F)c1=O.
What is the InChIKey of 1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione?
The InChIKey is PKMJXVVDXDCFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FIN2O2/c1-2-16-8-11(15)12(18)17(13(16)19)7-9-5-3-4-6-10(9)14/h3-6,8H,2,7H2,1H3.
What are the key properties of 1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione?
1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione has a molecular weight of 374.15 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione is sourced from PubChem (CID 79788186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).