3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine

C17H21Br2N5 — CID 77108328

IUPAC3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine
SMILESCc1nc(NCCN2CCN(c3ccccn3)CC2)c(Br)cc1Br
InChIInChI=1S/C17H21Br2N5/c1-13-14(18)12-15(19)17(22-13)21-6-7-23-8-10-24(11-9-23)16-4-2-3-5-20-16/h2-5,12H,6-11H2,1H3,(H,21,22)
InChIKeyGVLYPJFSUHDRKZ-UHFFFAOYSA-N
MW455.20 g/mol
LogP3.54
Rot. Bonds5

About 3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine

3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine (PubChem CID 77108328) has the molecular formula C17H21Br2N5 and a molecular weight of 455.20 g/mol. Its IUPAC name is 3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine
PubChem CID77108328
Molecular FormulaC17H21Br2N5
Molecular Weight455.20 g/mol
Exact Mass453.02
IUPAC Name3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine
SMILESCc1nc(NCCN2CCN(c3ccccn3)CC2)c(Br)cc1Br
InChIInChI=1S/C17H21Br2N5/c1-13-14(18)12-15(19)17(22-13)21-6-7-23-8-10-24(11-9-23)16-4-2-3-5-20-16/h2-5,12H,6-11H2,1H3,(H,21,22)
InChIKeyGVLYPJFSUHDRKZ-UHFFFAOYSA-N
XLogP3.54
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Trovirdine
CID 3000870
1-(5-Bromo-2-pyridyl)-3-[2-(1-piperidyl)ethyl]thiourea
CID 3001803
Trovirdine hydrochloride
CID 5327620
1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
1-(5-Bromo-2-pyridyl)-3-(2-piperazin-1-ylethyl)thiourea
CID 3001802
N-(2-bromophenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CID 4207409
4-N-(3-bromophenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328315
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 5f
CID 5328339
1-(2-bromophenyl)-3-[(3R)-1-(5-bromopyridin-2-yl)pyrrolidin-3-yl]urea
CID 24768248
PD-135222
CID 15079632
1-(5-Bromo-pyridin-2-yl)-3-piperidin-1-ylmethyl-thiourea
CID 44287426
N-cyano-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-2-carboximidamide
CID 56971262

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine (CID 77108328) is 3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine is Cc1nc(NCCN2CCN(c3ccccn3)CC2)c(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine?
The InChIKey is GVLYPJFSUHDRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Br2N5/c1-13-14(18)12-15(19)17(22-13)21-6-7-23-8-10-24(11-9-23)16-4-2-3-5-20-16/h2-5,12H,6-11H2,1H3,(H,21,22).
What are the key properties of 3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine?
3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine has a molecular weight of 455.20 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 77108328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).