4-(trifluoromethyl)-1H-pyrimidin-6-one

C5H3F3N2O — CID 135458620

IUPAC4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc[nH]1
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)3-1-4(11)10-2-9-3/h1-2H,(H,9,10,11)
InChIKeyLVOYSBZJJWPUBD-UHFFFAOYSA-N
MW164.09 g/mol
LogP0.79
Rot. Bonds

About 4-(trifluoromethyl)-1H-pyrimidin-6-one

4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135458620) has the molecular formula C5H3F3N2O and a molecular weight of 164.09 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135458620
Molecular FormulaC5H3F3N2O
Molecular Weight164.09 g/mol
Exact Mass164.02
IUPAC Name4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc[nH]1
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)3-1-4(11)10-2-9-3/h1-2H,(H,9,10,11)
InChIKeyLVOYSBZJJWPUBD-UHFFFAOYSA-N
XLogP0.79
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.09
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135458620) is 4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C(F)(F)F)nc[nH]1.
What is the InChIKey of 4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is LVOYSBZJJWPUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-4(11)10-2-9-3/h1-2H,(H,9,10,11).
What are the key properties of 4-(trifluoromethyl)-1H-pyrimidin-6-one?
4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 164.09 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135458620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).