2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one

C15H27N3O — CID 63769691

IUPAC2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one
SMILESCCCNC(C)CCCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C15H27N3O/c1-5-9-16-12(2)8-6-7-10-18-14(4)17-13(3)11-15(18)19/h11-12,16H,5-10H2,1-4H3
InChIKeyJJGNXUPWRHGRFJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.42
Rot. Bonds8

About 2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one

2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one (PubChem CID 63769691) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one
PubChem CID63769691
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one
SMILESCCCNC(C)CCCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C15H27N3O/c1-5-9-16-12(2)8-6-7-10-18-14(4)17-13(3)11-15(18)19/h11-12,16H,5-10H2,1-4H3
InChIKeyJJGNXUPWRHGRFJ-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-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 2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one (CID 63769691) is 2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one is CCCNC(C)CCCCn1c(C)nc(C)cc1=O.
What is the InChIKey of 2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one?
The InChIKey is JJGNXUPWRHGRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-9-16-12(2)8-6-7-10-18-14(4)17-13(3)11-15(18)19/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one?
2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one has a molecular weight of 265.40 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[5-(propylamino)hexyl]pyrimidin-4-one is sourced from PubChem (CID 63769691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).