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

C18H14FN3O3 — CID 885490

IUPAC1-benzyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1/C=N/c1ccc(F)cc1
InChIInChI=1S/C18H14FN3O3/c19-13-6-8-14(9-7-13)20-10-15-16(23)21-18(25)22(17(15)24)11-12-4-2-1-3-5-12/h1-10,24H,11H2,(H,21,23,25)/b20-10+
InChIKeyZIXXHDPZZMQWCI-KEBDBYFISA-N
MW339.33 g/mol
LogP2.18
Rot. Bonds4

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

1-benzyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 885490) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 1-benzyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID885490
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name1-benzyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1/C=N/c1ccc(F)cc1
InChIInChI=1S/C18H14FN3O3/c19-13-6-8-14(9-7-13)20-10-15-16(23)21-18(25)22(17(15)24)11-12-4-2-1-3-5-12/h1-10,24H,11H2,(H,21,23,25)/b20-10+
InChIKeyZIXXHDPZZMQWCI-KEBDBYFISA-N
XLogP2.18
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-benzyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (CID 885490) is 1-benzyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1/C=N/c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is ZIXXHDPZZMQWCI-KEBDBYFISA-N. The full InChI is InChI=1S/C18H14FN3O3/c19-13-6-8-14(9-7-13)20-10-15-16(23)21-18(25)22(17(15)24)11-12-4-2-1-3-5-12/h1-10,24H,11H2,(H,21,23,25)/b20-10+.
What are the key properties of 1-benzyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
1-benzyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 339.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 885490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).