3-cyclobutyl-5,6-dimethylpyrimidin-4-one

C10H14N2O — CID 126857568

IUPAC3-cyclobutyl-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(C2CCC2)c(=O)c1C
InChIInChI=1S/C10H14N2O/c1-7-8(2)11-6-12(10(7)13)9-4-3-5-9/h6,9H,3-5H2,1-2H3
InChIKeyXKZAMMPJFBCYBK-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.59
Rot. Bonds1

About 3-cyclobutyl-5,6-dimethylpyrimidin-4-one

3-cyclobutyl-5,6-dimethylpyrimidin-4-one (PubChem CID 126857568) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-cyclobutyl-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-cyclobutyl-5,6-dimethylpyrimidin-4-one
PubChem CID126857568
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-cyclobutyl-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(C2CCC2)c(=O)c1C
InChIInChI=1S/C10H14N2O/c1-7-8(2)11-6-12(10(7)13)9-4-3-5-9/h6,9H,3-5H2,1-2H3
InChIKeyXKZAMMPJFBCYBK-UHFFFAOYSA-N
XLogP1.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-cyclobutyl-5,6-dimethylpyrimidin-4-one (CID 126857568) is 3-cyclobutyl-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-cyclobutyl-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-cyclobutyl-5,6-dimethylpyrimidin-4-one is Cc1ncn(C2CCC2)c(=O)c1C.
What is the InChIKey of 3-cyclobutyl-5,6-dimethylpyrimidin-4-one?
The InChIKey is XKZAMMPJFBCYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-8(2)11-6-12(10(7)13)9-4-3-5-9/h6,9H,3-5H2,1-2H3.
What are the key properties of 3-cyclobutyl-5,6-dimethylpyrimidin-4-one?
3-cyclobutyl-5,6-dimethylpyrimidin-4-one has a molecular weight of 178.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 126857568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).