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

C20H18FN3O4 — CID 3963858

IUPAC1-(4-fluorophenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)ethyliminomethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(CC/N=C/c2c(O)n(-c3ccc(F)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H18FN3O4/c1-28-16-8-2-13(3-9-16)10-11-22-12-17-18(25)23-20(27)24(19(17)26)15-6-4-14(21)5-7-15/h2-9,12,26H,10-11H2,1H3,(H,23,25,27)/b22-12+
InChIKeyJTHJBLKMAZVSNI-WSDLNYQXSA-N
MW383.38 g/mol
LogP2.04
Rot. Bonds6

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

1-(4-fluorophenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)ethyliminomethyl]pyrimidine-2,4-dione (PubChem CID 3963858) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)ethyliminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)ethyliminomethyl]pyrimidine-2,4-dione
PubChem CID3963858
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name1-(4-fluorophenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)ethyliminomethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(CC/N=C/c2c(O)n(-c3ccc(F)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H18FN3O4/c1-28-16-8-2-13(3-9-16)10-11-22-12-17-18(25)23-20(27)24(19(17)26)15-6-4-14(21)5-7-15/h2-9,12,26H,10-11H2,1H3,(H,23,25,27)/b22-12+
InChIKeyJTHJBLKMAZVSNI-WSDLNYQXSA-N
XLogP2.04
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.04
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 1-(4-fluorophenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)ethyliminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)ethyliminomethyl]pyrimidine-2,4-dione (CID 3963858) is 1-(4-fluorophenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)ethyliminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)ethyliminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)ethyliminomethyl]pyrimidine-2,4-dione is COc1ccc(CC/N=C/c2c(O)n(-c3ccc(F)cc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)ethyliminomethyl]pyrimidine-2,4-dione?
The InChIKey is JTHJBLKMAZVSNI-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-28-16-8-2-13(3-9-16)10-11-22-12-17-18(25)23-20(27)24(19(17)26)15-6-4-14(21)5-7-15/h2-9,12,26H,10-11H2,1H3,(H,23,25,27)/b22-12+.
What are the key properties of 1-(4-fluorophenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)ethyliminomethyl]pyrimidine-2,4-dione?
1-(4-fluorophenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)ethyliminomethyl]pyrimidine-2,4-dione has a molecular weight of 383.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-hydroxy-5-[2-(4-methoxyphenyl)ethyliminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 3963858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).