6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione

C13H11F3N2O3 — CID 115947931

IUPAC6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESCc1c(O)n(Cc2ccccc2C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C13H11F3N2O3/c1-7-10(19)17-12(21)18(11(7)20)6-8-4-2-3-5-9(8)13(14,15)16/h2-5,20H,6H2,1H3,(H,17,19,21)
InChIKeyDYFDKPFDMBPOBE-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.62
Rot. Bonds2

About 6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione

6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 115947931) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
PubChem CID115947931
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESCc1c(O)n(Cc2ccccc2C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C13H11F3N2O3/c1-7-10(19)17-12(21)18(11(7)20)6-8-4-2-3-5-9(8)13(14,15)16/h2-5,20H,6H2,1H3,(H,17,19,21)
InChIKeyDYFDKPFDMBPOBE-UHFFFAOYSA-N
XLogP1.62
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione (CID 115947931) is 6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione is Cc1c(O)n(Cc2ccccc2C(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is DYFDKPFDMBPOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-7-10(19)17-12(21)18(11(7)20)6-8-4-2-3-5-9(8)13(14,15)16/h2-5,20H,6H2,1H3,(H,17,19,21).
What are the key properties of 6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione?
6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 300.24 g/mol, XLogP of 1.62, 2 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-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 115947931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).