6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine

C13H25N5 — CID 125446780

IUPAC6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine
SMILESCCC[C@@H](CNc1cncc(N(C)C)n1)N(C)C
InChIInChI=1S/C13H25N5/c1-6-7-11(17(2)3)8-15-12-9-14-10-13(16-12)18(4)5/h9-11H,6-8H2,1-5H3,(H,15,16)/t11-/m0/s1
InChIKeyUDNDJLQNHIVVHO-NSHDSACASA-N
MW251.38 g/mol
LogP1.68
Rot. Bonds7

About 6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine

6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine (PubChem CID 125446780) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine
PubChem CID125446780
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine
SMILESCCC[C@@H](CNc1cncc(N(C)C)n1)N(C)C
InChIInChI=1S/C13H25N5/c1-6-7-11(17(2)3)8-15-12-9-14-10-13(16-12)18(4)5/h9-11H,6-8H2,1-5H3,(H,15,16)/t11-/m0/s1
InChIKeyUDNDJLQNHIVVHO-NSHDSACASA-N
XLogP1.68
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine?
The IUPAC name of 6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine (CID 125446780) is 6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine.
What is the SMILES notation for 6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine?
The canonical SMILES for 6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine is CCC[C@@H](CNc1cncc(N(C)C)n1)N(C)C.
What is the InChIKey of 6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine?
The InChIKey is UDNDJLQNHIVVHO-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N5/c1-6-7-11(17(2)3)8-15-12-9-14-10-13(16-12)18(4)5/h9-11H,6-8H2,1-5H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine?
6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2S)-2-(dimethylamino)pentyl]-2-N,2-N-dimethylpyrazine-2,6-diamine is sourced from PubChem (CID 125446780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).