4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one

C12H9F3N2O2 — CID 136860130

IUPAC4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C12H9F3N2O2/c1-7-5-10(18)17-11(16-7)8-3-2-4-9(6-8)19-12(13,14)15/h2-6H,1H3,(H,16,17,18)
InChIKeyJEVFFJJSMDCARU-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.64
Rot. Bonds2

About 4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one

4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (PubChem CID 136860130) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
PubChem CID136860130
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C12H9F3N2O2/c1-7-5-10(18)17-11(16-7)8-3-2-4-9(6-8)19-12(13,14)15/h2-6H,1H3,(H,16,17,18)
InChIKeyJEVFFJJSMDCARU-UHFFFAOYSA-N
XLogP2.64
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-(trifluoromethoxy)benzamide
CID 155630374
4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole
CID 67133238
4-(1-methylpiperidin-3-yl)-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 135860413
2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 135629608
6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 69182893
methyl 2-[3-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate
CID 107105199
6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid
CID 135433531
2,5-dimethyl-6-[3-(trifluoromethoxy)phenyl]-1H-pyrimidine-4-thione
CID 106517635
[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl] 5-(3-methyl-4-pyridinyl)thiophene-2-carboxylate
CID 167971420
4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 135741704
2,3,4-trifluoro-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 135974778
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (CID 136860130) is 4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-c2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of 4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The InChIKey is JEVFFJJSMDCARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-7-5-10(18)17-11(16-7)8-3-2-4-9(6-8)19-12(13,14)15/h2-6H,1H3,(H,16,17,18).
What are the key properties of 4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one has a molecular weight of 270.21 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136860130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).