3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one

C14H24N2O — CID 20709860

IUPAC3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one
SMILESCc1nc(C)n(C(C)(C)C)c(=O)c1C(C)(C)C
InChIInChI=1S/C14H24N2O/c1-9-11(13(3,4)5)12(17)16(10(2)15-9)14(6,7)8/h1-8H3
InChIKeyZIHXNJYASOUWJX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.91
Rot. Bonds

About 3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one

3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one (PubChem CID 20709860) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one
PubChem CID20709860
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one
SMILESCc1nc(C)n(C(C)(C)C)c(=O)c1C(C)(C)C
InChIInChI=1S/C14H24N2O/c1-9-11(13(3,4)5)12(17)16(10(2)15-9)14(6,7)8/h1-8H3
InChIKeyZIHXNJYASOUWJX-UHFFFAOYSA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one (CID 20709860) is 3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one is Cc1nc(C)n(C(C)(C)C)c(=O)c1C(C)(C)C.
What is the InChIKey of 3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one?
The InChIKey is ZIHXNJYASOUWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9-11(13(3,4)5)12(17)16(10(2)15-9)14(6,7)8/h1-8H3.
What are the key properties of 3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one?
3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one has a molecular weight of 236.36 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 20709860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).