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

C6H5F3N2O2 — CID 63613426

IUPAC4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CC(F)(F)F)[nH]1
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)2-3-10-4(12)1-5(13)11-3/h1H,2H2,(H2,10,11,12,13)
InChIKeyDYUMUXCYYRTYMY-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.58
Rot. Bonds1

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

4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (PubChem CID 63613426) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
PubChem CID63613426
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CC(F)(F)F)[nH]1
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)2-3-10-4(12)1-5(13)11-3/h1H,2H2,(H2,10,11,12,13)
InChIKeyDYUMUXCYYRTYMY-UHFFFAOYSA-N
XLogP0.58
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (CID 63613426) is 4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is O=c1cc(O)nc(CC(F)(F)F)[nH]1.
What is the InChIKey of 4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is DYUMUXCYYRTYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)2-3-10-4(12)1-5(13)11-3/h1H,2H2,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 194.11 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63613426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).