2-tert-butyl-3,5-diethylpyrimidin-4-one

C12H20N2O — CID 164559138

IUPAC2-tert-butyl-3,5-diethylpyrimidin-4-one
SMILESCCc1cnc(C(C)(C)C)n(CC)c1=O
InChIInChI=1S/C12H20N2O/c1-6-9-8-13-11(12(3,4)5)14(7-2)10(9)15/h8H,6-7H2,1-5H3
InChIKeyXWHUBSBDTLPGSG-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.12
Rot. Bonds2

About 2-tert-butyl-3,5-diethylpyrimidin-4-one

2-tert-butyl-3,5-diethylpyrimidin-4-one (PubChem CID 164559138) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-tert-butyl-3,5-diethylpyrimidin-4-one.

Molecular Properties

Compound Name2-tert-butyl-3,5-diethylpyrimidin-4-one
PubChem CID164559138
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-tert-butyl-3,5-diethylpyrimidin-4-one
SMILESCCc1cnc(C(C)(C)C)n(CC)c1=O
InChIInChI=1S/C12H20N2O/c1-6-9-8-13-11(12(3,4)5)14(7-2)10(9)15/h8H,6-7H2,1-5H3
InChIKeyXWHUBSBDTLPGSG-UHFFFAOYSA-N
XLogP2.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,5-diethylpyrimidin-4-one?
The IUPAC name of 2-tert-butyl-3,5-diethylpyrimidin-4-one (CID 164559138) is 2-tert-butyl-3,5-diethylpyrimidin-4-one.
What is the SMILES notation for 2-tert-butyl-3,5-diethylpyrimidin-4-one?
The canonical SMILES for 2-tert-butyl-3,5-diethylpyrimidin-4-one is CCc1cnc(C(C)(C)C)n(CC)c1=O.
What is the InChIKey of 2-tert-butyl-3,5-diethylpyrimidin-4-one?
The InChIKey is XWHUBSBDTLPGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-6-9-8-13-11(12(3,4)5)14(7-2)10(9)15/h8H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-3,5-diethylpyrimidin-4-one?
2-tert-butyl-3,5-diethylpyrimidin-4-one has a molecular weight of 208.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,5-diethylpyrimidin-4-one is sourced from PubChem (CID 164559138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).