4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine

C13H23N5 — CID 120780589

IUPAC4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(CN2CCC(C)(CN)C2)n1
InChIInChI=1S/C13H23N5/c1-13(9-14)5-7-18(10-13)8-11-4-6-15-12(16-11)17(2)3/h4,6H,5,7-10,14H2,1-3H3
InChIKeyWGIUPLJEOMCLMD-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.71
Rot. Bonds4

About 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine

4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 120780589) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
PubChem CID120780589
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(CN2CCC(C)(CN)C2)n1
InChIInChI=1S/C13H23N5/c1-13(9-14)5-7-18(10-13)8-11-4-6-15-12(16-11)17(2)3/h4,6H,5,7-10,14H2,1-3H3
InChIKeyWGIUPLJEOMCLMD-UHFFFAOYSA-N
XLogP0.71
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine 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 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine (CID 120780589) is 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(CN2CCC(C)(CN)C2)n1.
What is the InChIKey of 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is WGIUPLJEOMCLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-13(9-14)5-7-18(10-13)8-11-4-6-15-12(16-11)17(2)3/h4,6H,5,7-10,14H2,1-3H3.
What are the key properties of 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 120780589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).