1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one

C13H24N4O — CID 62564321

IUPAC1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCNCCCN(C)C)c(=O)n1
InChIInChI=1S/C13H24N4O/c1-11-10-12(2)17(13(18)15-11)9-7-14-6-5-8-16(3)4/h10,14H,5-9H2,1-4H3
InChIKeyQFGVAWPLLZAQDI-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.40
Rot. Bonds7

About 1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one

1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 62564321) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID62564321
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCNCCCN(C)C)c(=O)n1
InChIInChI=1S/C13H24N4O/c1-11-10-12(2)17(13(18)15-11)9-7-14-6-5-8-16(3)4/h10,14H,5-9H2,1-4H3
InChIKeyQFGVAWPLLZAQDI-UHFFFAOYSA-N
XLogP0.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-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 1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one (CID 62564321) is 1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CCNCCCN(C)C)c(=O)n1.
What is the InChIKey of 1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is QFGVAWPLLZAQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11-10-12(2)17(13(18)15-11)9-7-14-6-5-8-16(3)4/h10,14H,5-9H2,1-4H3.
What are the key properties of 1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 252.36 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)propylamino]ethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 62564321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).