3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one

C9H11F3N2O — CID 170583157

IUPAC3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one
SMILESCC(C)c1cnc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C9H11F3N2O/c1-5(2)6-4-13-8(9(10,11)12)14(3)7(6)15/h4-5H,1-3H3
InChIKeyGBZUZFCNDNEAEB-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.92
Rot. Bonds1

About 3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one

3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one (PubChem CID 170583157) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one
PubChem CID170583157
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one
SMILESCC(C)c1cnc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C9H11F3N2O/c1-5(2)6-4-13-8(9(10,11)12)14(3)7(6)15/h4-5H,1-3H3
InChIKeyGBZUZFCNDNEAEB-UHFFFAOYSA-N
XLogP1.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one
CID 170583066
5-Propan-2-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 178099444
5-Butan-2-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 178099631
2-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 99983897
5-Fluoro-3-(2-methylidenebutyl)pyrimidin-4-one
CID 126793836
3,5-Di(propan-2-yl)pyrimidin-4-one
CID 20641831
2,5-Ditert-butyl-3-methylpyrimidin-4-one
CID 59218365
3-Ethyl-5-propan-2-ylpyrimidin-4-one
CID 89409698
3,5-Diethylpyrimidin-4-one
CID 89749476
3-Methyl-5-propan-2-ylpyrimidin-4-one
CID 126706123
2,3-Dimethyl-5-propan-2-ylpyrimidin-4-one
CID 146614342
2,3-Dimethyl-5-prop-1-en-2-ylpyrimidin-4-one
CID 163509220

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one (CID 170583157) is 3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one is CC(C)c1cnc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is GBZUZFCNDNEAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5(2)6-4-13-8(9(10,11)12)14(3)7(6)15/h4-5H,1-3H3.
What are the key properties of 3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one?
3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 220.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 170583157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).