5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine

C12H21N5 — CID 63897051

IUPAC5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine
SMILESCN1CCN(C)C(CNc2ccc(N)nc2)C1
InChIInChI=1S/C12H21N5/c1-16-5-6-17(2)11(9-16)8-14-10-3-4-12(13)15-7-10/h3-4,7,11,14H,5-6,8-9H2,1-2H3,(H2,13,15)
InChIKeyYDIGGLPABVOPEK-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.32
Rot. Bonds3

About 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine

5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine (PubChem CID 63897051) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine
PubChem CID63897051
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine
SMILESCN1CCN(C)C(CNc2ccc(N)nc2)C1
InChIInChI=1S/C12H21N5/c1-16-5-6-17(2)11(9-16)8-14-10-3-4-12(13)15-7-10/h3-4,7,11,14H,5-6,8-9H2,1-2H3,(H2,13,15)
InChIKeyYDIGGLPABVOPEK-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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Frequently Asked Questions

What is the IUPAC name of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine (CID 63897051) is 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine is CN1CCN(C)C(CNc2ccc(N)nc2)C1.
What is the InChIKey of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine?
The InChIKey is YDIGGLPABVOPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-16-5-6-17(2)11(9-16)8-14-10-3-4-12(13)15-7-10/h3-4,7,11,14H,5-6,8-9H2,1-2H3,(H2,13,15).
What are the key properties of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine?
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-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 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 63897051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).