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

C11H7F3N2O2 — CID 15477092

IUPAC4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)10-15-8(17)5-9(18)16-10/h1-5H,(H2,15,16,17,18)
InChIKeyPKOBHYRUADTRSX-UHFFFAOYSA-N
MW256.18 g/mol
LogP2.16
Rot. Bonds1

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

4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (PubChem CID 15477092) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is 4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
PubChem CID15477092
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)10-15-8(17)5-9(18)16-10/h1-5H,(H2,15,16,17,18)
InChIKeyPKOBHYRUADTRSX-UHFFFAOYSA-N
XLogP2.16
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (CID 15477092) is 4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is O=c1cc(O)nc(-c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is PKOBHYRUADTRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)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-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 256.18 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 15477092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).