5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine

C13H21BrN4 — CID 113420482

IUPAC5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine
SMILESCc1c(N)cnc(N2CCN(C)C(C)(C)C2)c1Br
InChIInChI=1S/C13H21BrN4/c1-9-10(15)7-16-12(11(9)14)18-6-5-17(4)13(2,3)8-18/h7H,5-6,8,15H2,1-4H3
InChIKeyFDBMRCRKUKEOJW-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.27
Rot. Bonds1

About 5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine

5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine (PubChem CID 113420482) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine
PubChem CID113420482
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine
SMILESCc1c(N)cnc(N2CCN(C)C(C)(C)C2)c1Br
InChIInChI=1S/C13H21BrN4/c1-9-10(15)7-16-12(11(9)14)18-6-5-17(4)13(2,3)8-18/h7H,5-6,8,15H2,1-4H3
InChIKeyFDBMRCRKUKEOJW-UHFFFAOYSA-N
XLogP2.27
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.27
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-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine (CID 113420482) is 5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine is Cc1c(N)cnc(N2CCN(C)C(C)(C)C2)c1Br.
What is the InChIKey of 5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine?
The InChIKey is FDBMRCRKUKEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-9-10(15)7-16-12(11(9)14)18-6-5-17(4)13(2,3)8-18/h7H,5-6,8,15H2,1-4H3.
What are the key properties of 5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine?
5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine has a molecular weight of 313.24 g/mol, XLogP of 2.27, 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-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine is sourced from PubChem (CID 113420482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).