2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine

C15H18BrN5 — CID 114869654

IUPAC2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
SMILESCc1cc(N2CCN(c3ncccc3N)CC2)ncc1Br
InChIInChI=1S/C15H18BrN5/c1-11-9-14(19-10-12(11)16)20-5-7-21(8-6-20)15-13(17)3-2-4-18-15/h2-4,9-10H,5-8,17H2,1H3
InChIKeyASALHAHTGKEZQE-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.46
Rot. Bonds2

About 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine

2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 114869654) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
PubChem CID114869654
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC Name2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
SMILESCc1cc(N2CCN(c3ncccc3N)CC2)ncc1Br
InChIInChI=1S/C15H18BrN5/c1-11-9-14(19-10-12(11)16)20-5-7-21(8-6-20)15-13(17)3-2-4-18-15/h2-4,9-10H,5-8,17H2,1H3
InChIKeyASALHAHTGKEZQE-UHFFFAOYSA-N
XLogP2.46
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 115773812
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 79713141
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]aniline
CID 114869657
2-[4-(5,6-dimethylpyrazin-2-yl)piperazin-1-yl]pyridin-3-amine
CID 114476668
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine
CID 114870227
2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyridin-3-amine
CID 63205864
1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine
CID 115773789
1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine
CID 115773799
4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
CID 115773933
1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
CID 115773969
4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136979374

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine (CID 114869654) is 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine is Cc1cc(N2CCN(c3ncccc3N)CC2)ncc1Br.
What is the InChIKey of 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is ASALHAHTGKEZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c1-11-9-14(19-10-12(11)16)20-5-7-21(8-6-20)15-13(17)3-2-4-18-15/h2-4,9-10H,5-8,17H2,1H3.
What are the key properties of 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 348.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 114869654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).