2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one

C11H10F3N3O3 — CID 135130140

IUPAC2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one
SMILESCOC1=C(C)C(O)N(c2cc(C(F)(F)F)ncn2)C1=O
InChIInChI=1S/C11H10F3N3O3/c1-5-8(20-2)10(19)17(9(5)18)7-3-6(11(12,13)14)15-4-16-7/h3-4,9,18H,1-2H3
InChIKeyJXGXBUZZFXLLAR-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.08
Rot. Bonds2

About 2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one

2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one (PubChem CID 135130140) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one
PubChem CID135130140
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Name2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one
SMILESCOC1=C(C)C(O)N(c2cc(C(F)(F)F)ncn2)C1=O
InChIInChI=1S/C11H10F3N3O3/c1-5-8(20-2)10(19)17(9(5)18)7-3-6(11(12,13)14)15-4-16-7/h3-4,9,18H,1-2H3
InChIKeyJXGXBUZZFXLLAR-UHFFFAOYSA-N
XLogP1.08
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 126855030
3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride
CID 67103401
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 155823188
2,6-dimethyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 172900300
(3aS,6aS)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 97377895
tert-butyl 4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 70812514
(2,3-dimethoxyphenyl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91892334
N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 171704924
6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126863989
4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 87595026
2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 77493963
5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 91817778

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one (CID 135130140) is 2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one is COC1=C(C)C(O)N(c2cc(C(F)(F)F)ncn2)C1=O.
What is the InChIKey of 2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one?
The InChIKey is JXGXBUZZFXLLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3/c1-5-8(20-2)10(19)17(9(5)18)7-3-6(11(12,13)14)15-4-16-7/h3-4,9,18H,1-2H3.
What are the key properties of 2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one?
2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one has a molecular weight of 289.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-3-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]-2H-pyrrol-5-one is sourced from PubChem (CID 135130140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).