3-decan-3-yl-2,5-dimethylpyrimidin-4-one

C16H28N2O — CID 175952994

IUPAC3-decan-3-yl-2,5-dimethylpyrimidin-4-one
SMILESCCCCCCCC(CC)n1c(C)ncc(C)c1=O
InChIInChI=1S/C16H28N2O/c1-5-7-8-9-10-11-15(6-2)18-14(4)17-12-13(3)16(18)19/h12,15H,5-11H2,1-4H3
InChIKeyUAJQSNDZNVUOJB-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.17
Rot. Bonds8

About 3-decan-3-yl-2,5-dimethylpyrimidin-4-one

3-decan-3-yl-2,5-dimethylpyrimidin-4-one (PubChem CID 175952994) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-decan-3-yl-2,5-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-decan-3-yl-2,5-dimethylpyrimidin-4-one
PubChem CID175952994
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-decan-3-yl-2,5-dimethylpyrimidin-4-one
SMILESCCCCCCCC(CC)n1c(C)ncc(C)c1=O
InChIInChI=1S/C16H28N2O/c1-5-7-8-9-10-11-15(6-2)18-14(4)17-12-13(3)16(18)19/h12,15H,5-11H2,1-4H3
InChIKeyUAJQSNDZNVUOJB-UHFFFAOYSA-N
XLogP4.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-decan-3-yl-2,5-dimethylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-decan-3-yl-2,5-dimethylpyrimidin-4-one?
The IUPAC name of 3-decan-3-yl-2,5-dimethylpyrimidin-4-one (CID 175952994) is 3-decan-3-yl-2,5-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-decan-3-yl-2,5-dimethylpyrimidin-4-one?
The canonical SMILES for 3-decan-3-yl-2,5-dimethylpyrimidin-4-one is CCCCCCCC(CC)n1c(C)ncc(C)c1=O.
What is the InChIKey of 3-decan-3-yl-2,5-dimethylpyrimidin-4-one?
The InChIKey is UAJQSNDZNVUOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-7-8-9-10-11-15(6-2)18-14(4)17-12-13(3)16(18)19/h12,15H,5-11H2,1-4H3.
What are the key properties of 3-decan-3-yl-2,5-dimethylpyrimidin-4-one?
3-decan-3-yl-2,5-dimethylpyrimidin-4-one has a molecular weight of 264.41 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decan-3-yl-2,5-dimethylpyrimidin-4-one is sourced from PubChem (CID 175952994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).