6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine

C13H23N5 — CID 81131482

IUPAC6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCCN2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5/c1-11-3-4-12(14)13(16-11)15-5-6-18-9-7-17(2)8-10-18/h3-4H,5-10,14H2,1-2H3,(H,15,16)
InChIKeyGMYQCFMPIBLEEG-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.63
Rot. Bonds4

About 6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine

6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine (PubChem CID 81131482) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine
PubChem CID81131482
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCCN2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5/c1-11-3-4-12(14)13(16-11)15-5-6-18-9-7-17(2)8-10-18/h3-4H,5-10,14H2,1-2H3,(H,15,16)
InChIKeyGMYQCFMPIBLEEG-UHFFFAOYSA-N
XLogP0.63
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine (CID 81131482) is 6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine is Cc1ccc(N)c(NCCN2CCN(C)CC2)n1.
What is the InChIKey of 6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is GMYQCFMPIBLEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-11-3-4-12(14)13(16-11)15-5-6-18-9-7-17(2)8-10-18/h3-4H,5-10,14H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine?
6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine has a molecular weight of 249.36 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 81131482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).