5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine

C11H17BrN4 — CID 122502388

IUPAC5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine
SMILESCc1c(Br)cnc(N2CCN(C)CC2)c1N
InChIInChI=1S/C11H17BrN4/c1-8-9(12)7-14-11(10(8)13)16-5-3-15(2)4-6-16/h7H,3-6,13H2,1-2H3
InChIKeyCJGLBAKXNAWWGG-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.49
Rot. Bonds1

About 5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine

5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine (PubChem CID 122502388) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine
PubChem CID122502388
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine
SMILESCc1c(Br)cnc(N2CCN(C)CC2)c1N
InChIInChI=1S/C11H17BrN4/c1-8-9(12)7-14-11(10(8)13)16-5-3-15(2)4-6-16/h7H,3-6,13H2,1-2H3
InChIKeyCJGLBAKXNAWWGG-UHFFFAOYSA-N
XLogP1.49
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine (CID 122502388) is 5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine is Cc1c(Br)cnc(N2CCN(C)CC2)c1N.
What is the InChIKey of 5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine?
The InChIKey is CJGLBAKXNAWWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-8-9(12)7-14-11(10(8)13)16-5-3-15(2)4-6-16/h7H,3-6,13H2,1-2H3.
What are the key properties of 5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine?
5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine has a molecular weight of 285.19 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)pyridin-3-amine is sourced from PubChem (CID 122502388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).