5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione

C12H9F3N2O3 — CID 115947928

IUPAC5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2cc(F)c(F)cc2F)c(=O)[nH]c1=O
InChIInChI=1S/C12H9F3N2O3/c1-2-5-10(18)16-12(20)17(11(5)19)9-4-7(14)6(13)3-8(9)15/h3-4,19H,2H2,1H3,(H,16,18,20)
InChIKeyUJTUCEYPNUFLGC-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.21
Rot. Bonds2

About 5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione

5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione (PubChem CID 115947928) has the molecular formula C12H9F3N2O3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione
PubChem CID115947928
Molecular FormulaC12H9F3N2O3
Molecular Weight286.21 g/mol
Exact Mass286.06
IUPAC Name5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2cc(F)c(F)cc2F)c(=O)[nH]c1=O
InChIInChI=1S/C12H9F3N2O3/c1-2-5-10(18)16-12(20)17(11(5)19)9-4-7(14)6(13)3-8(9)15/h3-4,19H,2H2,1H3,(H,16,18,20)
InChIKeyUJTUCEYPNUFLGC-UHFFFAOYSA-N
XLogP1.21
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione (CID 115947928) is 5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione is CCc1c(O)n(-c2cc(F)c(F)cc2F)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione?
The InChIKey is UJTUCEYPNUFLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3/c1-2-5-10(18)16-12(20)17(11(5)19)9-4-7(14)6(13)3-8(9)15/h3-4,19H,2H2,1H3,(H,16,18,20).
What are the key properties of 5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione?
5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione has a molecular weight of 286.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115947928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).