2,3-dimethylpyrimidin-4-one;ethane

C8H14N2O — CID 143386723

IUPAC2,3-dimethylpyrimidin-4-one;ethane
SMILESCC.Cc1nccc(=O)n1C
InChIInChI=1S/C6H8N2O.C2H6/c1-5-7-4-3-6(9)8(5)2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyOPSWITWQDOPUOS-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.11
Rot. Bonds

About 2,3-dimethylpyrimidin-4-one;ethane

2,3-dimethylpyrimidin-4-one;ethane (PubChem CID 143386723) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,3-dimethylpyrimidin-4-one;ethane.

Molecular Properties

Compound Name2,3-dimethylpyrimidin-4-one;ethane
PubChem CID143386723
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2,3-dimethylpyrimidin-4-one;ethane
SMILESCC.Cc1nccc(=O)n1C
InChIInChI=1S/C6H8N2O.C2H6/c1-5-7-4-3-6(9)8(5)2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyOPSWITWQDOPUOS-UHFFFAOYSA-N
XLogP1.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyrimidin-4-one;ethane?
The IUPAC name of 2,3-dimethylpyrimidin-4-one;ethane (CID 143386723) is 2,3-dimethylpyrimidin-4-one;ethane.
What is the SMILES notation for 2,3-dimethylpyrimidin-4-one;ethane?
The canonical SMILES for 2,3-dimethylpyrimidin-4-one;ethane is CC.Cc1nccc(=O)n1C.
What is the InChIKey of 2,3-dimethylpyrimidin-4-one;ethane?
The InChIKey is OPSWITWQDOPUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.C2H6/c1-5-7-4-3-6(9)8(5)2;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 2,3-dimethylpyrimidin-4-one;ethane?
2,3-dimethylpyrimidin-4-one;ethane has a molecular weight of 154.21 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyrimidin-4-one;ethane is sourced from PubChem (CID 143386723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).