6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione

C13H11F3N2O3 — CID 115948074

IUPAC6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCC(F)(F)F)c(O)c1-c1ccccc1
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)6-7-18-11(20)9(10(19)17-12(18)21)8-4-2-1-3-5-8/h1-5,20H,6-7H2,(H,17,19,21)
InChIKeyWPQGTUMFJKGTSW-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.86
Rot. Bonds3

About 6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione

6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione (PubChem CID 115948074) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
PubChem CID115948074
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCC(F)(F)F)c(O)c1-c1ccccc1
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)6-7-18-11(20)9(10(19)17-12(18)21)8-4-2-1-3-5-8/h1-5,20H,6-7H2,(H,17,19,21)
InChIKeyWPQGTUMFJKGTSW-UHFFFAOYSA-N
XLogP1.86
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
6-hydroxy-5-phenyl-1-(2-propan-2-yloxyethyl)pyrimidine-2,4-dione
CID 104767898
1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115946756
6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione
CID 115948240
6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione
CID 115947290
3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
CID 115946839
6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione
CID 115947976
5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)-6-hydroxypyrimidine-2,4-dione
CID 115947031
5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione
CID 112598483
5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
CID 112601574
1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 115946137
5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 115946665

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione (CID 115948074) is 6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCC(F)(F)F)c(O)c1-c1ccccc1.
What is the InChIKey of 6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione?
The InChIKey is WPQGTUMFJKGTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c14-13(15,16)6-7-18-11(20)9(10(19)17-12(18)21)8-4-2-1-3-5-8/h1-5,20H,6-7H2,(H,17,19,21).
What are the key properties of 6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione?
6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione has a molecular weight of 300.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115948074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).