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

C18H14FN3O3 — CID 582536

IUPAC1-(4-fluorophenyl)-6-hydroxy-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1cccc(/N=C/c2c(O)n(-c3ccc(F)cc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C18H14FN3O3/c1-11-3-2-4-13(9-11)20-10-15-16(23)21-18(25)22(17(15)24)14-7-5-12(19)6-8-14/h2-10,24H,1H3,(H,21,23,25)/b20-10+
InChIKeyPHCIDIGOLZPCTE-KEBDBYFISA-N
MW339.33 g/mol
LogP2.43
Rot. Bonds3

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

1-(4-fluorophenyl)-6-hydroxy-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 582536) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-hydroxy-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-hydroxy-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID582536
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name1-(4-fluorophenyl)-6-hydroxy-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1cccc(/N=C/c2c(O)n(-c3ccc(F)cc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C18H14FN3O3/c1-11-3-2-4-13(9-11)20-10-15-16(23)21-18(25)22(17(15)24)14-7-5-12(19)6-8-14/h2-10,24H,1H3,(H,21,23,25)/b20-10+
InChIKeyPHCIDIGOLZPCTE-KEBDBYFISA-N
XLogP2.43
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.43
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-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-6-hydroxy-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione (CID 582536) is 1-(4-fluorophenyl)-6-hydroxy-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-6-hydroxy-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-6-hydroxy-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione is Cc1cccc(/N=C/c2c(O)n(-c3ccc(F)cc3)c(=O)[nH]c2=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-6-hydroxy-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is PHCIDIGOLZPCTE-KEBDBYFISA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-11-3-2-4-13(9-11)20-10-15-16(23)21-18(25)22(17(15)24)14-7-5-12(19)6-8-14/h2-10,24H,1H3,(H,21,23,25)/b20-10+.
What are the key properties of 1-(4-fluorophenyl)-6-hydroxy-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
1-(4-fluorophenyl)-6-hydroxy-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 339.33 g/mol, XLogP of 2.43, 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-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 582536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).