5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine

C11H17BrN4 — CID 59613548

IUPAC5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine
SMILESCN1CCC(Nc2cc(N)ncc2Br)CC1
InChIInChI=1S/C11H17BrN4/c1-16-4-2-8(3-5-16)15-10-6-11(13)14-7-9(10)12/h6-8H,2-5H2,1H3,(H3,13,14,15)
InChIKeyIEPBUWSAYKIVTJ-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.93
Rot. Bonds2

About 5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine

5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine (PubChem CID 59613548) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine
PubChem CID59613548
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine
SMILESCN1CCC(Nc2cc(N)ncc2Br)CC1
InChIInChI=1S/C11H17BrN4/c1-16-4-2-8(3-5-16)15-10-6-11(13)14-7-9(10)12/h6-8H,2-5H2,1H3,(H3,13,14,15)
InChIKeyIEPBUWSAYKIVTJ-UHFFFAOYSA-N
XLogP1.93
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine (CID 59613548) is 5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine is CN1CCC(Nc2cc(N)ncc2Br)CC1.
What is the InChIKey of 5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine?
The InChIKey is IEPBUWSAYKIVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-16-4-2-8(3-5-16)15-10-6-11(13)14-7-9(10)12/h6-8H,2-5H2,1H3,(H3,13,14,15).
What are the key properties of 5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine?
5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine has a molecular weight of 285.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine is sourced from PubChem (CID 59613548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).