5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione

C18H14FN3O4 — CID 1379783

IUPAC5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C=N/c3ccc(F)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H14FN3O4/c1-26-14-8-6-13(7-9-14)22-17(24)15(16(23)21-18(22)25)10-20-12-4-2-11(19)3-5-12/h2-10,24H,1H3,(H,21,23,25)/b20-10+
InChIKeyWLOHZIHSOSPTQG-KEBDBYFISA-N
MW355.33 g/mol
LogP2.13
Rot. Bonds4

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

5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 1379783) has the molecular formula C18H14FN3O4 and a molecular weight of 355.33 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID1379783
Molecular FormulaC18H14FN3O4
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC Name5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C=N/c3ccc(F)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H14FN3O4/c1-26-14-8-6-13(7-9-14)22-17(24)15(16(23)21-18(22)25)10-20-12-4-2-11(19)3-5-12/h2-10,24H,1H3,(H,21,23,25)/b20-10+
InChIKeyWLOHZIHSOSPTQG-KEBDBYFISA-N
XLogP2.13
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
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-(4-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (CID 1379783) is 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is COc1ccc(-n2c(O)c(/C=N/c3ccc(F)cc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is WLOHZIHSOSPTQG-KEBDBYFISA-N. The full InChI is InChI=1S/C18H14FN3O4/c1-26-14-8-6-13(7-9-14)22-17(24)15(16(23)21-18(22)25)10-20-12-4-2-11(19)3-5-12/h2-10,24H,1H3,(H,21,23,25)/b20-10+.
What are the key properties of 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 355.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 1379783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).