2,3-diethylpyrimidin-4-one

C8H12N2O — CID 142277537

IUPAC2,3-diethylpyrimidin-4-one
SMILESCCc1nccc(=O)n1CC
InChIInChI=1S/C8H12N2O/c1-3-7-9-6-5-8(11)10(7)4-2/h5-6H,3-4H2,1-2H3
InChIKeyZZBXXNVXHYYIFN-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.83
Rot. Bonds2

About 2,3-diethylpyrimidin-4-one

2,3-diethylpyrimidin-4-one (PubChem CID 142277537) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2,3-diethylpyrimidin-4-one.

Molecular Properties

Compound Name2,3-diethylpyrimidin-4-one
PubChem CID142277537
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2,3-diethylpyrimidin-4-one
SMILESCCc1nccc(=O)n1CC
InChIInChI=1S/C8H12N2O/c1-3-7-9-6-5-8(11)10(7)4-2/h5-6H,3-4H2,1-2H3
InChIKeyZZBXXNVXHYYIFN-UHFFFAOYSA-N
XLogP0.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethylpyrimidin-4-one?
The IUPAC name of 2,3-diethylpyrimidin-4-one (CID 142277537) is 2,3-diethylpyrimidin-4-one.
What is the SMILES notation for 2,3-diethylpyrimidin-4-one?
The canonical SMILES for 2,3-diethylpyrimidin-4-one is CCc1nccc(=O)n1CC.
What is the InChIKey of 2,3-diethylpyrimidin-4-one?
The InChIKey is ZZBXXNVXHYYIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-7-9-6-5-8(11)10(7)4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,3-diethylpyrimidin-4-one?
2,3-diethylpyrimidin-4-one has a molecular weight of 152.20 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethylpyrimidin-4-one is sourced from PubChem (CID 142277537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).