3,6-dimethylpyrimidin-4-one

C6H8N2O — CID 13149273

IUPAC3,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)cn1
InChIInChI=1S/C6H8N2O/c1-5-3-6(9)8(2)4-7-5/h3-4H,1-2H3
InChIKeyNMCZEDGETGCRIZ-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.09
Rot. Bonds

About 3,6-dimethylpyrimidin-4-one

3,6-dimethylpyrimidin-4-one (PubChem CID 13149273) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 3,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethylpyrimidin-4-one
PubChem CID13149273
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name3,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)cn1
InChIInChI=1S/C6H8N2O/c1-5-3-6(9)8(2)4-7-5/h3-4H,1-2H3
InChIKeyNMCZEDGETGCRIZ-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 3,6-dimethylpyrimidin-4-one?
The IUPAC name of 3,6-dimethylpyrimidin-4-one (CID 13149273) is 3,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(C)cn1.
What is the InChIKey of 3,6-dimethylpyrimidin-4-one?
The InChIKey is NMCZEDGETGCRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5-3-6(9)8(2)4-7-5/h3-4H,1-2H3.
What are the key properties of 3,6-dimethylpyrimidin-4-one?
3,6-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 3,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 13149273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).