3-[2-[2-(dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one

C12H22N4O2 — CID 79374629

IUPAC3-[2-[2-(dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCNCCN(C)C
InChIInChI=1S/C12H22N4O2/c1-10-9-11(17)16(12(14-10)18-4)8-6-13-5-7-15(2)3/h9,13H,5-8H2,1-4H3
InChIKeyYQTGVGJRMZUATO-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.29
Rot. Bonds7

About 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one

3-[2-[2-(dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79374629) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[2-(dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79374629
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-[2-[2-(dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCNCCN(C)C
InChIInChI=1S/C12H22N4O2/c1-10-9-11(17)16(12(14-10)18-4)8-6-13-5-7-15(2)3/h9,13H,5-8H2,1-4H3
InChIKeyYQTGVGJRMZUATO-UHFFFAOYSA-N
XLogP-0.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one (CID 79374629) is 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one is COc1nc(C)cc(=O)n1CCNCCN(C)C.
What is the InChIKey of 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is YQTGVGJRMZUATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-10-9-11(17)16(12(14-10)18-4)8-6-13-5-7-15(2)3/h9,13H,5-8H2,1-4H3.
What are the key properties of 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one?
3-[2-[2-(dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 254.33 g/mol, XLogP of -0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79374629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).