2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine

C16H20BrN5O2S — CID 133382412

IUPAC2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(S(=O)(=O)c3ccccc3Br)CC2)n1
InChIInChI=1S/C16H20BrN5O2S/c1-20(2)15-7-8-18-16(19-15)21-9-11-22(12-10-21)25(23,24)14-6-4-3-5-13(14)17/h3-8H,9-12H2,1-2H3
InChIKeyLBZJGJNYJRABHI-UHFFFAOYSA-N
MW426.34 g/mol
LogP1.82
Rot. Bonds4

About 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine

2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 133382412) has the molecular formula C16H20BrN5O2S and a molecular weight of 426.34 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
PubChem CID133382412
Molecular FormulaC16H20BrN5O2S
Molecular Weight426.34 g/mol
Exact Mass425.05
IUPAC Name2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(S(=O)(=O)c3ccccc3Br)CC2)n1
InChIInChI=1S/C16H20BrN5O2S/c1-20(2)15-7-8-18-16(19-15)21-9-11-22(12-10-21)25(23,24)14-6-4-3-5-13(14)17/h3-8H,9-12H2,1-2H3
InChIKeyLBZJGJNYJRABHI-UHFFFAOYSA-N
XLogP1.82
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 133382557
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 133381627
2-[4-(2-bromo-4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 52567580
N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 122332735
4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343646
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212
4-(2-bromophenyl)sulfonylpiperazine-1-carbaldehyde
CID 3858856
1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 2468104
3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 122346060
1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922388
2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 121204943

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (CID 133382412) is 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is CN(C)c1ccnc(N2CCN(S(=O)(=O)c3ccccc3Br)CC2)n1.
What is the InChIKey of 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is LBZJGJNYJRABHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O2S/c1-20(2)15-7-8-18-16(19-15)21-9-11-22(12-10-21)25(23,24)14-6-4-3-5-13(14)17/h3-8H,9-12H2,1-2H3.
What are the key properties of 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 426.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 133382412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).