5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

C17H21FN2O5 — CID 10043575

IUPAC5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCCO)cc1Cc1cccc(OCCCF)c1
InChIInChI=1S/C17H21FN2O5/c18-5-2-7-25-15-4-1-3-13(10-15)9-14-11-20(12-24-8-6-21)17(23)19-16(14)22/h1,3-4,10-11,21H,2,5-9,12H2,(H,19,22,23)
InChIKeyAPGFFBHJDGIFJW-UHFFFAOYSA-N
MW352.36 g/mol
LogP0.83
Rot. Bonds10

About 5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione (PubChem CID 10043575) has the molecular formula C17H21FN2O5 and a molecular weight of 352.36 g/mol. Its IUPAC name is 5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
PubChem CID10043575
Molecular FormulaC17H21FN2O5
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCCO)cc1Cc1cccc(OCCCF)c1
InChIInChI=1S/C17H21FN2O5/c18-5-2-7-25-15-4-1-3-13(10-15)9-14-11-20(12-24-8-6-21)17(23)19-16(14)22/h1,3-4,10-11,21H,2,5-9,12H2,(H,19,22,23)
InChIKeyAPGFFBHJDGIFJW-UHFFFAOYSA-N
XLogP0.83
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)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-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione (CID 10043575) is 5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(COCCO)cc1Cc1cccc(OCCCF)c1.
What is the InChIKey of 5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is APGFFBHJDGIFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O5/c18-5-2-7-25-15-4-1-3-13(10-15)9-14-11-20(12-24-8-6-21)17(23)19-16(14)22/h1,3-4,10-11,21H,2,5-9,12H2,(H,19,22,23).
What are the key properties of 5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 352.36 g/mol, XLogP of 0.83, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10043575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).