5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

C19H20FN3O3 — CID 621898

IUPAC5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1/C=N/CCC1=CCCCC1
InChIInChI=1S/C19H20FN3O3/c20-15-8-4-5-9-16(15)23-18(25)14(17(24)22-19(23)26)12-21-11-10-13-6-2-1-3-7-13/h4-6,8-9,12,25H,1-3,7,10-11H2,(H,22,24,26)/b21-12+
InChIKeyZBOXQARGGZHWHD-CIAFOILYSA-N
MW357.39 g/mol
LogP2.68
Rot. Bonds5

About 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 621898) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID621898
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1/C=N/CCC1=CCCCC1
InChIInChI=1S/C19H20FN3O3/c20-15-8-4-5-9-16(15)23-18(25)14(17(24)22-19(23)26)12-21-11-10-13-6-2-1-3-7-13/h4-6,8-9,12,25H,1-3,7,10-11H2,(H,22,24,26)/b21-12+
InChIKeyZBOXQARGGZHWHD-CIAFOILYSA-N
XLogP2.68
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (CID 621898) is 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1/C=N/CCC1=CCCCC1.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is ZBOXQARGGZHWHD-CIAFOILYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-15-8-4-5-9-16(15)23-18(25)14(17(24)22-19(23)26)12-21-11-10-13-6-2-1-3-7-13/h4-6,8-9,12,25H,1-3,7,10-11H2,(H,22,24,26)/b21-12+.
What are the key properties of 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 357.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 621898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).