3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one

C12H22N4O — CID 63794733

IUPAC3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCNCCN(C)C)c(C)n1
InChIInChI=1S/C12H22N4O/c1-10-9-12(17)16(11(2)14-10)8-6-13-5-7-15(3)4/h9,13H,5-8H2,1-4H3
InChIKeyGUCVWYMBZLQCHH-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.01
Rot. Bonds6

About 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one

3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63794733) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63794733
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCNCCN(C)C)c(C)n1
InChIInChI=1S/C12H22N4O/c1-10-9-12(17)16(11(2)14-10)8-6-13-5-7-15(3)4/h9,13H,5-8H2,1-4H3
InChIKeyGUCVWYMBZLQCHH-UHFFFAOYSA-N
XLogP0.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one (CID 63794733) is 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CCNCCN(C)C)c(C)n1.
What is the InChIKey of 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is GUCVWYMBZLQCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-9-12(17)16(11(2)14-10)8-6-13-5-7-15(3)4/h9,13H,5-8H2,1-4H3.
What are the key properties of 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 238.33 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63794733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).