6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione

C11H7F3N2O3 — CID 112600489

IUPAC6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
SMILESCc1c(O)n(-c2cc(F)cc(F)c2F)c(=O)[nH]c1=O
InChIInChI=1S/C11H7F3N2O3/c1-4-9(17)15-11(19)16(10(4)18)7-3-5(12)2-6(13)8(7)14/h2-3,18H,1H3,(H,15,17,19)
InChIKeyFAPHGHPJHYBLDJ-UHFFFAOYSA-N
MW272.18 g/mol
LogP0.96
Rot. Bonds1

About 6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione

6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione (PubChem CID 112600489) has the molecular formula C11H7F3N2O3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
PubChem CID112600489
Molecular FormulaC11H7F3N2O3
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC Name6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
SMILESCc1c(O)n(-c2cc(F)cc(F)c2F)c(=O)[nH]c1=O
InChIInChI=1S/C11H7F3N2O3/c1-4-9(17)15-11(19)16(10(4)18)7-3-5(12)2-6(13)8(7)14/h2-3,18H,1H3,(H,15,17,19)
InChIKeyFAPHGHPJHYBLDJ-UHFFFAOYSA-N
XLogP0.96
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 50.96
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 6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione (CID 112600489) is 6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione is Cc1c(O)n(-c2cc(F)cc(F)c2F)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione?
The InChIKey is FAPHGHPJHYBLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3/c1-4-9(17)15-11(19)16(10(4)18)7-3-5(12)2-6(13)8(7)14/h2-3,18H,1H3,(H,15,17,19).
What are the key properties of 6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione?
6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione has a molecular weight of 272.18 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112600489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).