1,5-dimethylpyrimidin-4-one

C6H8N2O — CID 20772154

IUPAC1,5-dimethylpyrimidin-4-one
SMILESCc1cn(C)cnc1=O
InChIInChI=1S/C6H8N2O/c1-5-3-8(2)4-7-6(5)9/h3-4H,1-2H3
InChIKeyNKVCWXBOVUSSMU-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.09
Rot. Bonds

About 1,5-dimethylpyrimidin-4-one

1,5-dimethylpyrimidin-4-one (PubChem CID 20772154) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1,5-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name1,5-dimethylpyrimidin-4-one
PubChem CID20772154
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1,5-dimethylpyrimidin-4-one
SMILESCc1cn(C)cnc1=O
InChIInChI=1S/C6H8N2O/c1-5-3-8(2)4-7-6(5)9/h3-4H,1-2H3
InChIKeyNKVCWXBOVUSSMU-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 1,5-dimethylpyrimidin-4-one?
The IUPAC name of 1,5-dimethylpyrimidin-4-one (CID 20772154) is 1,5-dimethylpyrimidin-4-one.
What is the SMILES notation for 1,5-dimethylpyrimidin-4-one?
The canonical SMILES for 1,5-dimethylpyrimidin-4-one is Cc1cn(C)cnc1=O.
What is the InChIKey of 1,5-dimethylpyrimidin-4-one?
The InChIKey is NKVCWXBOVUSSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5-3-8(2)4-7-6(5)9/h3-4H,1-2H3.
What are the key properties of 1,5-dimethylpyrimidin-4-one?
1,5-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 1,5-dimethylpyrimidin-4-one is sourced from PubChem (CID 20772154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).