ethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one

C12H12F3N3O2 — CID 144770931

IUPACethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCC.O=c1cc(O)nc(-c2cccc(C(F)(F)F)n2)[nH]1
InChIInChI=1S/C10H6F3N3O2.C2H6/c11-10(12,13)6-3-1-2-5(14-6)9-15-7(17)4-8(18)16-9;1-2/h1-4H,(H2,15,16,17,18);1-2H3
InChIKeyXZLJKUADYKREFS-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.58
Rot. Bonds1

About ethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one

ethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 144770931) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is ethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one
PubChem CID144770931
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Nameethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCC.O=c1cc(O)nc(-c2cccc(C(F)(F)F)n2)[nH]1
InChIInChI=1S/C10H6F3N3O2.C2H6/c11-10(12,13)6-3-1-2-5(14-6)9-15-7(17)4-8(18)16-9;1-2/h1-4H,(H2,15,16,17,18);1-2H3
InChIKeyXZLJKUADYKREFS-UHFFFAOYSA-N
XLogP2.58
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of ethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one (CID 144770931) is ethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for ethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one is CC.O=c1cc(O)nc(-c2cccc(C(F)(F)F)n2)[nH]1.
What is the InChIKey of ethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is XZLJKUADYKREFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2.C2H6/c11-10(12,13)6-3-1-2-5(14-6)9-15-7(17)4-8(18)16-9;1-2/h1-4H,(H2,15,16,17,18);1-2H3.
What are the key properties of ethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
ethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 287.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-2-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 144770931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).