3-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one

C14H25N3O — CID 63769696

IUPAC3-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNC(C)CCCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C14H25N3O/c1-5-15-11(2)8-6-7-9-17-13(4)16-12(3)10-14(17)18/h10-11,15H,5-9H2,1-4H3
InChIKeyQSNQFQNQIQKZRT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.03
Rot. Bonds7

About 3-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one

3-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63769696) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63769696
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNC(C)CCCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C14H25N3O/c1-5-15-11(2)8-6-7-9-17-13(4)16-12(3)10-14(17)18/h10-11,15H,5-9H2,1-4H3
InChIKeyQSNQFQNQIQKZRT-UHFFFAOYSA-N
XLogP2.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one (CID 63769696) is 3-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one is CCNC(C)CCCCn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is QSNQFQNQIQKZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-15-11(2)8-6-7-9-17-13(4)16-12(3)10-14(17)18/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 3-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one?
3-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 251.37 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(ethylamino)hexyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63769696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).