6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine

C16H19BrN4 — CID 141037384

IUPAC6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCc1ccc(Nc2ccc(N3CCNCC3)cc2)nc1Br
InChIInChI=1S/C16H19BrN4/c1-12-2-7-15(20-16(12)17)19-13-3-5-14(6-4-13)21-10-8-18-9-11-21/h2-7,18H,8-11H2,1H3,(H,19,20)
InChIKeyQHCYFGSGYNBUHK-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.31
Rot. Bonds3

About 6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine

6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 141037384) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine
PubChem CID141037384
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCc1ccc(Nc2ccc(N3CCNCC3)cc2)nc1Br
InChIInChI=1S/C16H19BrN4/c1-12-2-7-15(20-16(12)17)19-13-3-5-14(6-4-13)21-10-8-18-9-11-21/h2-7,18H,8-11H2,1H3,(H,19,20)
InChIKeyQHCYFGSGYNBUHK-UHFFFAOYSA-N
XLogP3.31
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 141037394
N-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 82513961
N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine
CID 122624208
N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 82513989
1-bromo-4-methylbenzene;1-(4-methylphenyl)piperazine
CID 161139081
5-bromo-2-methylsulfanyl-N-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 90218081
1-(4-bromophenyl)piperazine;hydrochloride
CID 14422838
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
4-[4-(4-amino-3-methylphenyl)-1,4,7-triazonan-1-yl]-2-methylaniline
CID 23103839
1-(4-bromo-3-methylphenyl)piperazine;hydrochloride
CID 21071017
5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 68899926
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 82487984

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine (CID 141037384) is 6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine is Cc1ccc(Nc2ccc(N3CCNCC3)cc2)nc1Br.
What is the InChIKey of 6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is QHCYFGSGYNBUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c1-12-2-7-15(20-16(12)17)19-13-3-5-14(6-4-13)21-10-8-18-9-11-21/h2-7,18H,8-11H2,1H3,(H,19,20).
What are the key properties of 6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine?
6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 347.26 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 141037384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).