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

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Related Compounds

1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol
CID 136522548
2-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylaniline;hydrochloride
CID 120780771
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773260
4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine
CID 112751268
[1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773381
2-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120771966
[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120773064
[1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780551
[1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780484
1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol
CID 130536247
[3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967303
[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120773051

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).