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

C14H26N4O2 — CID 79374264

IUPAC3-[2-[2-(diethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCCN(CC)CCNCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C14H26N4O2/c1-5-17(6-2)9-7-15-8-10-18-13(19)11-12(3)16-14(18)20-4/h11,15H,5-10H2,1-4H3
InChIKeyXNECKZBXLWJBQK-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.49
Rot. Bonds9

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

3-[2-[2-(diethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79374264) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[2-[2-(diethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[2-(diethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79374264
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-[2-[2-(diethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCCN(CC)CCNCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C14H26N4O2/c1-5-17(6-2)9-7-15-8-10-18-13(19)11-12(3)16-14(18)20-4/h11,15H,5-10H2,1-4H3
InChIKeyXNECKZBXLWJBQK-UHFFFAOYSA-N
XLogP0.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.49
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-(diethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-[2-(diethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one (CID 79374264) is 3-[2-[2-(diethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[2-(diethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-[2-(diethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one is CCN(CC)CCNCCn1c(OC)nc(C)cc1=O.
What is the InChIKey of 3-[2-[2-(diethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is XNECKZBXLWJBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-17(6-2)9-7-15-8-10-18-13(19)11-12(3)16-14(18)20-4/h11,15H,5-10H2,1-4H3.
What are the key properties of 3-[2-[2-(diethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one?
3-[2-[2-(diethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 282.39 g/mol, XLogP of 0.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(diethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79374264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).