1,2-dimethylpyrimidin-4-one

C6H8N2O — CID 59539346

IUPAC1,2-dimethylpyrimidin-4-one
SMILESCc1nc(=O)ccn1C
InChIInChI=1S/C6H8N2O/c1-5-7-6(9)3-4-8(5)2/h3-4H,1-2H3
InChIKeyMZPFZEDFHHYDAI-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.09
Rot. Bonds

About 1,2-dimethylpyrimidin-4-one

1,2-dimethylpyrimidin-4-one (PubChem CID 59539346) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1,2-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name1,2-dimethylpyrimidin-4-one
PubChem CID59539346
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1,2-dimethylpyrimidin-4-one
SMILESCc1nc(=O)ccn1C
InChIInChI=1S/C6H8N2O/c1-5-7-6(9)3-4-8(5)2/h3-4H,1-2H3
InChIKeyMZPFZEDFHHYDAI-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 1,2-dimethylpyrimidin-4-one?
The IUPAC name of 1,2-dimethylpyrimidin-4-one (CID 59539346) is 1,2-dimethylpyrimidin-4-one.
What is the SMILES notation for 1,2-dimethylpyrimidin-4-one?
The canonical SMILES for 1,2-dimethylpyrimidin-4-one is Cc1nc(=O)ccn1C.
What is the InChIKey of 1,2-dimethylpyrimidin-4-one?
The InChIKey is MZPFZEDFHHYDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5-7-6(9)3-4-8(5)2/h3-4H,1-2H3.
What are the key properties of 1,2-dimethylpyrimidin-4-one?
1,2-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 1,2-dimethylpyrimidin-4-one is sourced from PubChem (CID 59539346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).