6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine

C12H21N5 — CID 80647172

IUPAC6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine
SMILESCN1CCN(C)C(CNc2cccc(N)n2)C1
InChIInChI=1S/C12H21N5/c1-16-6-7-17(2)10(9-16)8-14-12-5-3-4-11(13)15-12/h3-5,10H,6-9H2,1-2H3,(H3,13,14,15)
InChIKeyRMZJDPVEINQJGK-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.32
Rot. Bonds3

About 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine

6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine (PubChem CID 80647172) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine
PubChem CID80647172
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine
SMILESCN1CCN(C)C(CNc2cccc(N)n2)C1
InChIInChI=1S/C12H21N5/c1-16-6-7-17(2)10(9-16)8-14-12-5-3-4-11(13)15-12/h3-5,10H,6-9H2,1-2H3,(H3,13,14,15)
InChIKeyRMZJDPVEINQJGK-UHFFFAOYSA-N
XLogP0.32
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine
CID 80647279
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinolin-2-amine
CID 63896921
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78954732
6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid
CID 154914525
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine
CID 63897051
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinoxalin-2-amine
CID 63898211
N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78954799
6-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-2,6-diamine
CID 80646581
2-amino-3-[(1,4-dimethylpiperazin-2-yl)methylamino]benzonitrile
CID 104716781
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 63899169
N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine
CID 63897643
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66278571

Frequently Asked Questions

What is the IUPAC name of 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine (CID 80647172) is 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine is CN1CCN(C)C(CNc2cccc(N)n2)C1.
What is the InChIKey of 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine?
The InChIKey is RMZJDPVEINQJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-16-6-7-17(2)10(9-16)8-14-12-5-3-4-11(13)15-12/h3-5,10H,6-9H2,1-2H3,(H3,13,14,15).
What are the key properties of 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine?
6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine has a molecular weight of 235.33 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 80647172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).