1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione

C17H11ClFN3O3 — CID 1379781

IUPAC1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1/C=N/c1ccc(F)cc1
InChIInChI=1S/C17H11ClFN3O3/c18-10-2-1-3-13(8-10)22-16(24)14(15(23)21-17(22)25)9-20-12-6-4-11(19)5-7-12/h1-9,24H,(H,21,23,25)/b20-9+
InChIKeyKIBQAQURCFLAQC-AWQFTUOYSA-N
MW359.74 g/mol
LogP2.77
Rot. Bonds3

About 1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione

1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 1379781) has the molecular formula C17H11ClFN3O3 and a molecular weight of 359.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID1379781
Molecular FormulaC17H11ClFN3O3
Molecular Weight359.74 g/mol
Exact Mass359.05
IUPAC Name1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1/C=N/c1ccc(F)cc1
InChIInChI=1S/C17H11ClFN3O3/c18-10-2-1-3-13(8-10)22-16(24)14(15(23)21-17(22)25)9-20-12-6-4-11(19)5-7-12/h1-9,24H,(H,21,23,25)/b20-9+
InChIKeyKIBQAQURCFLAQC-AWQFTUOYSA-N
XLogP2.77
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 52.77
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-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione (CID 1379781) is 1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1/C=N/c1ccc(F)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is KIBQAQURCFLAQC-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O3/c18-10-2-1-3-13(8-10)22-16(24)14(15(23)21-17(22)25)9-20-12-6-4-11(19)5-7-12/h1-9,24H,(H,21,23,25)/b20-9+.
What are the key properties of 1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione?
1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 359.74 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 1379781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).