6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine

C13H22N4O — CID 82889348

IUPAC6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine
SMILESCc1ccc(OCCN2CCN(C)CC2)c(N)n1
InChIInChI=1S/C13H22N4O/c1-11-3-4-12(13(14)15-11)18-10-9-17-7-5-16(2)6-8-17/h3-4H,5-10H2,1-2H3,(H2,14,15)
InChIKeySJNLREBBNCBABQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.60
Rot. Bonds4

About 6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine

6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine (PubChem CID 82889348) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine
PubChem CID82889348
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine
SMILESCc1ccc(OCCN2CCN(C)CC2)c(N)n1
InChIInChI=1S/C13H22N4O/c1-11-3-4-12(13(14)15-11)18-10-9-17-7-5-16(2)6-8-17/h3-4H,5-10H2,1-2H3,(H2,14,15)
InChIKeySJNLREBBNCBABQ-UHFFFAOYSA-N
XLogP0.60
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine?
The IUPAC name of 6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine (CID 82889348) is 6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine?
The canonical SMILES for 6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine is Cc1ccc(OCCN2CCN(C)CC2)c(N)n1.
What is the InChIKey of 6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine?
The InChIKey is SJNLREBBNCBABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-3-4-12(13(14)15-11)18-10-9-17-7-5-16(2)6-8-17/h3-4H,5-10H2,1-2H3,(H2,14,15).
What are the key properties of 6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine?
6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 82889348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).