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

C14H24N2O — CID 23592094

IUPAC5,6-ditert-butyl-2,3-dimethylpyrimidin-4-one
SMILESCc1nc(C(C)(C)C)c(C(C)(C)C)c(=O)n1C
InChIInChI=1S/C14H24N2O/c1-9-15-11(14(5,6)7)10(13(2,3)4)12(17)16(9)8/h1-8H3
InChIKeyUAYIMQPRLWFHCX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.68
Rot. Bonds

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

5,6-ditert-butyl-2,3-dimethylpyrimidin-4-one (PubChem CID 23592094) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5,6-ditert-butyl-2,3-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-ditert-butyl-2,3-dimethylpyrimidin-4-one
PubChem CID23592094
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5,6-ditert-butyl-2,3-dimethylpyrimidin-4-one
SMILESCc1nc(C(C)(C)C)c(C(C)(C)C)c(=O)n1C
InChIInChI=1S/C14H24N2O/c1-9-15-11(14(5,6)7)10(13(2,3)4)12(17)16(9)8/h1-8H3
InChIKeyUAYIMQPRLWFHCX-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-2,3-dimethylpyrimidin-4-one?
The IUPAC name of 5,6-ditert-butyl-2,3-dimethylpyrimidin-4-one (CID 23592094) is 5,6-ditert-butyl-2,3-dimethylpyrimidin-4-one.
What is the SMILES notation for 5,6-ditert-butyl-2,3-dimethylpyrimidin-4-one?
The canonical SMILES for 5,6-ditert-butyl-2,3-dimethylpyrimidin-4-one is Cc1nc(C(C)(C)C)c(C(C)(C)C)c(=O)n1C.
What is the InChIKey of 5,6-ditert-butyl-2,3-dimethylpyrimidin-4-one?
The InChIKey is UAYIMQPRLWFHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9-15-11(14(5,6)7)10(13(2,3)4)12(17)16(9)8/h1-8H3.
What are the key properties of 5,6-ditert-butyl-2,3-dimethylpyrimidin-4-one?
5,6-ditert-butyl-2,3-dimethylpyrimidin-4-one has a molecular weight of 236.36 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-2,3-dimethylpyrimidin-4-one is sourced from PubChem (CID 23592094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).