5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione

C20H19FN2O5 — CID 67121540

IUPAC5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione
SMILESCCc1c(Oc2ccccc2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O
InChIInChI=1S/C20H19FN2O5/c1-2-17-18(24)23(26)20(25)22(19(17)28-16-6-4-3-5-7-16)13-27-12-14-8-10-15(21)11-9-14/h3-11,26H,2,12-13H2,1H3
InChIKeyFOOBKVWLMJYGCF-UHFFFAOYSA-N
MW386.38 g/mol
LogP2.92
Rot. Bonds7

About 5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione

5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione (PubChem CID 67121540) has the molecular formula C20H19FN2O5 and a molecular weight of 386.38 g/mol. Its IUPAC name is 5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione
PubChem CID67121540
Molecular FormulaC20H19FN2O5
Molecular Weight386.38 g/mol
Exact Mass386.13
IUPAC Name5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione
SMILESCCc1c(Oc2ccccc2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O
InChIInChI=1S/C20H19FN2O5/c1-2-17-18(24)23(26)20(25)22(19(17)28-16-6-4-3-5-7-16)13-27-12-14-8-10-15(21)11-9-14/h3-11,26H,2,12-13H2,1H3
InChIKeyFOOBKVWLMJYGCF-UHFFFAOYSA-N
XLogP2.92
TPSA82.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione (CID 67121540) is 5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione is CCc1c(Oc2ccccc2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O.
What is the InChIKey of 5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione?
The InChIKey is FOOBKVWLMJYGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O5/c1-2-17-18(24)23(26)20(25)22(19(17)28-16-6-4-3-5-7-16)13-27-12-14-8-10-15(21)11-9-14/h3-11,26H,2,12-13H2,1H3.
What are the key properties of 5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione?
5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione has a molecular weight of 386.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-6-phenoxypyrimidine-2,4-dione is sourced from PubChem (CID 67121540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).