5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine

C13H21BrN4 — CID 113340028

IUPAC5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine
SMILESCc1cc(NCCN2CCN(C)CC2)ncc1Br
InChIInChI=1S/C13H21BrN4/c1-11-9-13(16-10-12(11)14)15-3-4-18-7-5-17(2)6-8-18/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyYPZPHNLUSRHDRK-UHFFFAOYSA-N
MW313.24 g/mol
LogP1.81
Rot. Bonds4

About 5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine

5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine (PubChem CID 113340028) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine
PubChem CID113340028
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine
SMILESCc1cc(NCCN2CCN(C)CC2)ncc1Br
InChIInChI=1S/C13H21BrN4/c1-11-9-13(16-10-12(11)14)15-3-4-18-7-5-17(2)6-8-18/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyYPZPHNLUSRHDRK-UHFFFAOYSA-N
XLogP1.81
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 113340018
5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 114869240
4-bromo-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889277
N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
CID 114869070
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine
CID 106173773
5-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-2-amine
CID 103745781
5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine
CID 133403567
5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 115774111
5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 115773970

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine (CID 113340028) is 5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine is Cc1cc(NCCN2CCN(C)CC2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine?
The InChIKey is YPZPHNLUSRHDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-11-9-13(16-10-12(11)14)15-3-4-18-7-5-17(2)6-8-18/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine?
5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine has a molecular weight of 313.24 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 113340028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).