6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione

C17H10Cl3N3O3 — CID 4124584

IUPAC6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/C=N/c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl3N3O3/c18-9-6-12(19)14(13(20)7-9)21-8-11-15(24)22-17(26)23(16(11)25)10-4-2-1-3-5-10/h1-8,25H,(H,22,24,26)/b21-8+
InChIKeyUKFMDFOBSYVNHT-ODCIPOBUSA-N
MW410.64 g/mol
LogP3.94
Rot. Bonds3

About 6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione

6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 4124584) has the molecular formula C17H10Cl3N3O3 and a molecular weight of 410.64 g/mol. Its IUPAC name is 6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID4124584
Molecular FormulaC17H10Cl3N3O3
Molecular Weight410.64 g/mol
Exact Mass408.98
IUPAC Name6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/C=N/c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl3N3O3/c18-9-6-12(19)14(13(20)7-9)21-8-11-15(24)22-17(26)23(16(11)25)10-4-2-1-3-5-10/h1-8,25H,(H,22,24,26)/b21-8+
InChIKeyUKFMDFOBSYVNHT-ODCIPOBUSA-N
XLogP3.94
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.64
LogP ≤ 53.94
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 6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione (CID 4124584) is 6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/C=N/c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is UKFMDFOBSYVNHT-ODCIPOBUSA-N. The full InChI is InChI=1S/C17H10Cl3N3O3/c18-9-6-12(19)14(13(20)7-9)21-8-11-15(24)22-17(26)23(16(11)25)10-4-2-1-3-5-10/h1-8,25H,(H,22,24,26)/b21-8+.
What are the key properties of 6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 410.64 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 4124584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).