4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one

C12H9F3N2O2 — CID 65430440

IUPAC4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC(F)(F)F)nc(O)c1-c1ccccc1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)6-8-16-10(18)9(11(19)17-8)7-4-2-1-3-5-7/h1-5H,6H2,(H2,16,17,18,19)
InChIKeyIFDFTCWGOBDVHE-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.25
Rot. Bonds2

About 4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one

4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (PubChem CID 65430440) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
PubChem CID65430440
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC(F)(F)F)nc(O)c1-c1ccccc1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)6-8-16-10(18)9(11(19)17-8)7-4-2-1-3-5-7/h1-5H,6H2,(H2,16,17,18,19)
InChIKeyIFDFTCWGOBDVHE-UHFFFAOYSA-N
XLogP2.25
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (CID 65430440) is 4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is O=c1[nH]c(CC(F)(F)F)nc(O)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is IFDFTCWGOBDVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c13-12(14,15)6-8-16-10(18)9(11(19)17-8)7-4-2-1-3-5-7/h1-5H,6H2,(H2,16,17,18,19).
What are the key properties of 4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 270.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65430440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).