1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione

C19H16FN3O4 — CID 1346865

IUPAC1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(O)c(/C=N/c3ccc(F)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H16FN3O4/c1-2-27-15-9-7-14(8-10-15)23-18(25)16(17(24)22-19(23)26)11-21-13-5-3-12(20)4-6-13/h3-11,25H,2H2,1H3,(H,22,24,26)/b21-11+
InChIKeyCYDPXWHASIUEOC-SRZZPIQSSA-N
MW369.35 g/mol
LogP2.52
Rot. Bonds5

About 1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione

1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 1346865) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID1346865
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(O)c(/C=N/c3ccc(F)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H16FN3O4/c1-2-27-15-9-7-14(8-10-15)23-18(25)16(17(24)22-19(23)26)11-21-13-5-3-12(20)4-6-13/h3-11,25H,2H2,1H3,(H,22,24,26)/b21-11+
InChIKeyCYDPXWHASIUEOC-SRZZPIQSSA-N
XLogP2.52
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (CID 1346865) is 1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is CCOc1ccc(-n2c(O)c(/C=N/c3ccc(F)cc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is CYDPXWHASIUEOC-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-2-27-15-9-7-14(8-10-15)23-18(25)16(17(24)22-19(23)26)11-21-13-5-3-12(20)4-6-13/h3-11,25H,2H2,1H3,(H,22,24,26)/b21-11+.
What are the key properties of 1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 369.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 1346865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).