5-bromo-N,N,4,6-tetramethylpyridin-2-amine

C9H13BrN2 — CID 23250506

IUPAC5-bromo-N,N,4,6-tetramethylpyridin-2-amine
SMILESCc1cc(N(C)C)nc(C)c1Br
InChIInChI=1S/C9H13BrN2/c1-6-5-8(12(3)4)11-7(2)9(6)10/h5H,1-4H3
InChIKeyCISMTWZQYSPXPU-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.53
Rot. Bonds1

About 5-bromo-N,N,4,6-tetramethylpyridin-2-amine

5-bromo-N,N,4,6-tetramethylpyridin-2-amine (PubChem CID 23250506) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 5-bromo-N,N,4,6-tetramethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N,N,4,6-tetramethylpyridin-2-amine
PubChem CID23250506
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name5-bromo-N,N,4,6-tetramethylpyridin-2-amine
SMILESCc1cc(N(C)C)nc(C)c1Br
InChIInChI=1S/C9H13BrN2/c1-6-5-8(12(3)4)11-7(2)9(6)10/h5H,1-4H3
InChIKeyCISMTWZQYSPXPU-UHFFFAOYSA-N
XLogP2.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N,4,6-tetramethylpyridin-2-amine?
The IUPAC name of 5-bromo-N,N,4,6-tetramethylpyridin-2-amine (CID 23250506) is 5-bromo-N,N,4,6-tetramethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N,N,4,6-tetramethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N,N,4,6-tetramethylpyridin-2-amine is Cc1cc(N(C)C)nc(C)c1Br.
What is the InChIKey of 5-bromo-N,N,4,6-tetramethylpyridin-2-amine?
The InChIKey is CISMTWZQYSPXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-6-5-8(12(3)4)11-7(2)9(6)10/h5H,1-4H3.
What are the key properties of 5-bromo-N,N,4,6-tetramethylpyridin-2-amine?
5-bromo-N,N,4,6-tetramethylpyridin-2-amine has a molecular weight of 229.12 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N,4,6-tetramethylpyridin-2-amine is sourced from PubChem (CID 23250506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).