3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine

C15H21N5 — CID 28811060

IUPAC3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCCc1ncc(CNCc2cccnc2N(C)C)cn1
InChIInChI=1S/C15H21N5/c1-4-14-18-9-12(10-19-14)8-16-11-13-6-5-7-17-15(13)20(2)3/h5-7,9-10,16H,4,8,11H2,1-3H3
InChIKeyNCDAXIGXZFGWNN-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.79
Rot. Bonds6

About 3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine

3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 28811060) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID28811060
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCCc1ncc(CNCc2cccnc2N(C)C)cn1
InChIInChI=1S/C15H21N5/c1-4-14-18-9-12(10-19-14)8-16-11-13-6-5-7-17-15(13)20(2)3/h5-7,9-10,16H,4,8,11H2,1-3H3
InChIKeyNCDAXIGXZFGWNN-UHFFFAOYSA-N
XLogP1.79
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine (CID 28811060) is 3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine is CCc1ncc(CNCc2cccnc2N(C)C)cn1.
What is the InChIKey of 3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is NCDAXIGXZFGWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-14-18-9-12(10-19-14)8-16-11-13-6-5-7-17-15(13)20(2)3/h5-7,9-10,16H,4,8,11H2,1-3H3.
What are the key properties of 3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine?
3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 271.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethylpyrimidin-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 28811060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).