6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine

C13H23N5 — CID 115265366

IUPAC6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine
SMILESCCN(C)c1cc(N2CCCC2CCN)ncn1
InChIInChI=1S/C13H23N5/c1-3-17(2)12-9-13(16-10-15-12)18-8-4-5-11(18)6-7-14/h9-11H,3-8,14H2,1-2H3
InChIKeyOMJWFGVZPUHOEJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.25
Rot. Bonds5

About 6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine

6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine (PubChem CID 115265366) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine
PubChem CID115265366
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine
SMILESCCN(C)c1cc(N2CCCC2CCN)ncn1
InChIInChI=1S/C13H23N5/c1-3-17(2)12-9-13(16-10-15-12)18-8-4-5-11(18)6-7-14/h9-11H,3-8,14H2,1-2H3
InChIKeyOMJWFGVZPUHOEJ-UHFFFAOYSA-N
XLogP1.25
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylpyrimidin-4-amine
CID 115265368
2-[1-[6-[methyl(propyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]ethanol
CID 115265322
[1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 115265310
3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine
CID 66332370
[1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 86933300
2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 98767103
[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133432045
[(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 98767127
3-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]-2-methylpropanoic acid
CID 122064774
[(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764108
2-[1-(4-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
CID 63766267
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 80670776

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine (CID 115265366) is 6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine is CCN(C)c1cc(N2CCCC2CCN)ncn1.
What is the InChIKey of 6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is OMJWFGVZPUHOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-17(2)12-9-13(16-10-15-12)18-8-4-5-11(18)6-7-14/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine?
6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 115265366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).