3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one

C11H19N3O — CID 129127184

IUPAC3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one
SMILESCc1nc(C)n(CCN(C)C)c(=O)c1C
InChIInChI=1S/C11H19N3O/c1-8-9(2)12-10(3)14(11(8)15)7-6-13(4)5/h6-7H2,1-5H3
InChIKeyQNQDWBXDRARWFC-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.73
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one

3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one (PubChem CID 129127184) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one
PubChem CID129127184
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one
SMILESCc1nc(C)n(CCN(C)C)c(=O)c1C
InChIInChI=1S/C11H19N3O/c1-8-9(2)12-10(3)14(11(8)15)7-6-13(4)5/h6-7H2,1-5H3
InChIKeyQNQDWBXDRARWFC-UHFFFAOYSA-N
XLogP0.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one (CID 129127184) is 3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one is Cc1nc(C)n(CCN(C)C)c(=O)c1C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one?
The InChIKey is QNQDWBXDRARWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-9(2)12-10(3)14(11(8)15)7-6-13(4)5/h6-7H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one?
3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one is sourced from PubChem (CID 129127184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).