5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione

C23H16FN3O3 — CID 2785931

IUPAC5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione
SMILESO=c1c(/C=N/c2ccc(F)cc2)c(O)n(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C23H16FN3O3/c24-16-11-13-17(14-12-16)25-15-20-21(28)26(18-7-3-1-4-8-18)23(30)27(22(20)29)19-9-5-2-6-10-19/h1-15,28H/b25-15+
InChIKeyVFCKYQLNXHEHRY-MFKUBSTISA-N
MW401.40 g/mol
LogP3.58
Rot. Bonds4

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

5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione (PubChem CID 2785931) has the molecular formula C23H16FN3O3 and a molecular weight of 401.40 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione
PubChem CID2785931
Molecular FormulaC23H16FN3O3
Molecular Weight401.40 g/mol
Exact Mass401.12
IUPAC Name5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione
SMILESO=c1c(/C=N/c2ccc(F)cc2)c(O)n(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C23H16FN3O3/c24-16-11-13-17(14-12-16)25-15-20-21(28)26(18-7-3-1-4-8-18)23(30)27(22(20)29)19-9-5-2-6-10-19/h1-15,28H/b25-15+
InChIKeyVFCKYQLNXHEHRY-MFKUBSTISA-N
XLogP3.58
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
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 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione (CID 2785931) is 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione is O=c1c(/C=N/c2ccc(F)cc2)c(O)n(-c2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione?
The InChIKey is VFCKYQLNXHEHRY-MFKUBSTISA-N. The full InChI is InChI=1S/C23H16FN3O3/c24-16-11-13-17(14-12-16)25-15-20-21(28)26(18-7-3-1-4-8-18)23(30)27(22(20)29)19-9-5-2-6-10-19/h1-15,28H/b25-15+.
What are the key properties of 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione?
5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione has a molecular weight of 401.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione is sourced from PubChem (CID 2785931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).