4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one

C11H7F3N2O3 — CID 55259166

IUPAC4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccccc2OC(F)(F)F)[nH]1
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)19-7-4-2-1-3-6(7)10-15-8(17)5-9(18)16-10/h1-5H,(H2,15,16,17,18)
InChIKeyKAAIACQDQRCONA-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.04
Rot. Bonds2

About 4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one

4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (PubChem CID 55259166) has the molecular formula C11H7F3N2O3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
PubChem CID55259166
Molecular FormulaC11H7F3N2O3
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC Name4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccccc2OC(F)(F)F)[nH]1
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)19-7-4-2-1-3-6(7)10-15-8(17)5-9(18)16-10/h1-5H,(H2,15,16,17,18)
InChIKeyKAAIACQDQRCONA-UHFFFAOYSA-N
XLogP2.04
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (CID 55259166) is 4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is O=c1cc(O)nc(-c2ccccc2OC(F)(F)F)[nH]1.
What is the InChIKey of 4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The InChIKey is KAAIACQDQRCONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3/c12-11(13,14)19-7-4-2-1-3-6(7)10-15-8(17)5-9(18)16-10/h1-5H,(H2,15,16,17,18).
What are the key properties of 4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one has a molecular weight of 272.18 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 55259166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).