1-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione

C17H12FN3O3 — CID 3276075

IUPAC1-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(F)cc2)c(O)c1/C=N/c1ccccc1
InChIInChI=1S/C17H12FN3O3/c18-11-6-8-13(9-7-11)21-16(23)14(15(22)20-17(21)24)10-19-12-4-2-1-3-5-12/h1-10,23H,(H,20,22,24)/b19-10+
InChIKeyVLGDAZFVBWJAKF-VXLYETTFSA-N
MW325.30 g/mol
LogP2.12
Rot. Bonds3

About 1-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione

1-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione (PubChem CID 3276075) has the molecular formula C17H12FN3O3 and a molecular weight of 325.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione
PubChem CID3276075
Molecular FormulaC17H12FN3O3
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC Name1-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(F)cc2)c(O)c1/C=N/c1ccccc1
InChIInChI=1S/C17H12FN3O3/c18-11-6-8-13(9-7-11)21-16(23)14(15(22)20-17(21)24)10-19-12-4-2-1-3-5-12/h1-10,23H,(H,20,22,24)/b19-10+
InChIKeyVLGDAZFVBWJAKF-VXLYETTFSA-N
XLogP2.12
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 52.12
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-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione (CID 3276075) is 1-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccc(F)cc2)c(O)c1/C=N/c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione?
The InChIKey is VLGDAZFVBWJAKF-VXLYETTFSA-N. The full InChI is InChI=1S/C17H12FN3O3/c18-11-6-8-13(9-7-11)21-16(23)14(15(22)20-17(21)24)10-19-12-4-2-1-3-5-12/h1-10,23H,(H,20,22,24)/b19-10+.
What are the key properties of 1-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione?
1-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione has a molecular weight of 325.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-hydroxy-5-(phenyliminomethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3276075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).