3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one

C11H15F3N2O — CID 162608735

IUPAC3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1nc(C(F)(F)F)cc(=O)n1CC(C)(C)C
InChIInChI=1S/C11H15F3N2O/c1-7-15-8(11(12,13)14)5-9(17)16(7)6-10(2,3)4/h5H,6H2,1-4H3
InChIKeyUUGJHAMSZIABJJ-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.62
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one

3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 162608735) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID162608735
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1nc(C(F)(F)F)cc(=O)n1CC(C)(C)C
InChIInChI=1S/C11H15F3N2O/c1-7-15-8(11(12,13)14)5-9(17)16(7)6-10(2,3)4/h5H,6H2,1-4H3
InChIKeyUUGJHAMSZIABJJ-UHFFFAOYSA-N
XLogP2.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one (CID 162608735) is 3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one is Cc1nc(C(F)(F)F)cc(=O)n1CC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is UUGJHAMSZIABJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-7-15-8(11(12,13)14)5-9(17)16(7)6-10(2,3)4/h5H,6H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one?
3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 248.25 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 162608735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).