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

C14H26N4O — CID 55235494

IUPAC3-[2-[2-(diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCN(CC)CCNCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C14H26N4O/c1-5-17(6-2)9-7-15-8-10-18-13(4)16-12(3)11-14(18)19/h11,15H,5-10H2,1-4H3
InChIKeyVDKYKFDLFICXPW-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.79
Rot. Bonds8

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

3-[2-[2-(diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 55235494) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[2-[2-(diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[2-(diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID55235494
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-[2-[2-(diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCN(CC)CCNCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C14H26N4O/c1-5-17(6-2)9-7-15-8-10-18-13(4)16-12(3)11-14(18)19/h11,15H,5-10H2,1-4H3
InChIKeyVDKYKFDLFICXPW-UHFFFAOYSA-N
XLogP0.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.79
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-(diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-[2-(diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one (CID 55235494) is 3-[2-[2-(diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[2-(diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-[2-(diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one is CCN(CC)CCNCCn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-[2-[2-(diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is VDKYKFDLFICXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-17(6-2)9-7-15-8-10-18-13(4)16-12(3)11-14(18)19/h11,15H,5-10H2,1-4H3.
What are the key properties of 3-[2-[2-(diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-[2-(diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 266.39 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 55235494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).