3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one

C15H27N3O — CID 55236066

IUPAC3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one
SMILESCCCNC(Cn1c(C)nc(C)cc1=O)C(C)(C)C
InChIInChI=1S/C15H27N3O/c1-7-8-16-13(15(4,5)6)10-18-12(3)17-11(2)9-14(18)19/h9,13,16H,7-8,10H2,1-6H3
InChIKeyNKJRVJQJFIQAMM-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.27
Rot. Bonds5

About 3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one

3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 55236066) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one
PubChem CID55236066
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one
SMILESCCCNC(Cn1c(C)nc(C)cc1=O)C(C)(C)C
InChIInChI=1S/C15H27N3O/c1-7-8-16-13(15(4,5)6)10-18-12(3)17-11(2)9-14(18)19/h9,13,16H,7-8,10H2,1-6H3
InChIKeyNKJRVJQJFIQAMM-UHFFFAOYSA-N
XLogP2.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-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-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one (CID 55236066) is 3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one is CCCNC(Cn1c(C)nc(C)cc1=O)C(C)(C)C.
What is the InChIKey of 3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is NKJRVJQJFIQAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-7-8-16-13(15(4,5)6)10-18-12(3)17-11(2)9-14(18)19/h9,13,16H,7-8,10H2,1-6H3.
What are the key properties of 3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one?
3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 265.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethyl-2-(propylamino)butyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 55236066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).