2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one

C5H5F3N2O — CID 25210504

IUPAC2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESO=C1CCN=C(C(F)(F)F)N1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-9-2-1-3(11)10-4/h1-2H2,(H,9,10,11)
InChIKeyTWRORTFZBJZPHA-UHFFFAOYSA-N
MW166.10 g/mol
LogP0.47
Rot. Bonds

About 2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one

2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 25210504) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID25210504
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESO=C1CCN=C(C(F)(F)F)N1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-9-2-1-3(11)10-4/h1-2H2,(H,9,10,11)
InChIKeyTWRORTFZBJZPHA-UHFFFAOYSA-N
XLogP0.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one (CID 25210504) is 2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one is O=C1CCN=C(C(F)(F)F)N1.
What is the InChIKey of 2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is TWRORTFZBJZPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)4-9-2-1-3(11)10-4/h1-2H2,(H,9,10,11).
What are the key properties of 2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one?
2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 166.10 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 25210504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).