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

C14H25N3O — CID 63793319

IUPAC3-[2-(hexylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCCCCCNCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C14H25N3O/c1-4-5-6-7-8-15-9-10-17-13(3)16-12(2)11-14(17)18/h11,15H,4-10H2,1-3H3
InChIKeyMIMPNPDTBYMWMS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.03
Rot. Bonds8

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

3-[2-(hexylamino)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63793319) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[2-(hexylamino)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(hexylamino)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63793319
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[2-(hexylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCCCCCNCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C14H25N3O/c1-4-5-6-7-8-15-9-10-17-13(3)16-12(2)11-14(17)18/h11,15H,4-10H2,1-3H3
InChIKeyMIMPNPDTBYMWMS-UHFFFAOYSA-N
XLogP2.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-[2-(hexylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(hexylamino)ethyl]-2,6-dimethylpyrimidin-4-one (CID 63793319) is 3-[2-(hexylamino)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(hexylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(hexylamino)ethyl]-2,6-dimethylpyrimidin-4-one is CCCCCCNCCn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-[2-(hexylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is MIMPNPDTBYMWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-5-6-7-8-15-9-10-17-13(3)16-12(2)11-14(17)18/h11,15H,4-10H2,1-3H3.
What are the key properties of 3-[2-(hexylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-(hexylamino)ethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 251.37 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hexylamino)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63793319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).