5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione

C16H17FN2O4 — CID 144877120

IUPAC5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione
SMILESCCOCCn1cc(C(C)=O)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H17FN2O4/c1-3-23-9-8-18-10-14(11(2)20)15(21)19(16(18)22)13-6-4-12(17)5-7-13/h4-7,10H,3,8-9H2,1-2H3
InChIKeyYQDMZDAAKXDXGU-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.38
Rot. Bonds6

About 5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione

5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione (PubChem CID 144877120) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione
PubChem CID144877120
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione
SMILESCCOCCn1cc(C(C)=O)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H17FN2O4/c1-3-23-9-8-18-10-14(11(2)20)15(21)19(16(18)22)13-6-4-12(17)5-7-13/h4-7,10H,3,8-9H2,1-2H3
InChIKeyYQDMZDAAKXDXGU-UHFFFAOYSA-N
XLogP1.38
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione (CID 144877120) is 5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione is CCOCCn1cc(C(C)=O)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione?
The InChIKey is YQDMZDAAKXDXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-3-23-9-8-18-10-14(11(2)20)15(21)19(16(18)22)13-6-4-12(17)5-7-13/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione?
5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione has a molecular weight of 320.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 144877120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).