2,3-dimethylpyrimidin-4-one

C6H8N2O — CID 544933

IUPAC2,3-dimethylpyrimidin-4-one
SMILESCc1nccc(=O)n1C
InChIInChI=1S/C6H8N2O/c1-5-7-4-3-6(9)8(5)2/h3-4H,1-2H3
InChIKeyAHQSDTAPZOQQBJ-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.09
Rot. Bonds

About 2,3-dimethylpyrimidin-4-one

2,3-dimethylpyrimidin-4-one (PubChem CID 544933) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2,3-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethylpyrimidin-4-one
PubChem CID544933
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2,3-dimethylpyrimidin-4-one
SMILESCc1nccc(=O)n1C
InChIInChI=1S/C6H8N2O/c1-5-7-4-3-6(9)8(5)2/h3-4H,1-2H3
InChIKeyAHQSDTAPZOQQBJ-UHFFFAOYSA-N
XLogP0.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.09
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?
The IUPAC name of 2,3-dimethylpyrimidin-4-one (CID 544933) is 2,3-dimethylpyrimidin-4-one.
What is the SMILES notation for 2,3-dimethylpyrimidin-4-one?
The canonical SMILES for 2,3-dimethylpyrimidin-4-one is Cc1nccc(=O)n1C.
What is the InChIKey of 2,3-dimethylpyrimidin-4-one?
The InChIKey is AHQSDTAPZOQQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5-7-4-3-6(9)8(5)2/h3-4H,1-2H3.
What are the key properties of 2,3-dimethylpyrimidin-4-one?
2,3-dimethylpyrimidin-4-one has a molecular weight of 124.14 g/mol, XLogP of 0.09, 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 is sourced from PubChem (CID 544933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).