2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine

C16H19Cl2N5O2S — CID 133382557

IUPAC2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)n1
InChIInChI=1S/C16H19Cl2N5O2S/c1-21(2)14-6-7-19-16(20-14)22-8-10-23(11-9-22)26(24,25)15-12(17)4-3-5-13(15)18/h3-7H,8-11H2,1-2H3
InChIKeyHJDHFPFTIUAGRJ-UHFFFAOYSA-N
MW416.33 g/mol
LogP2.36
Rot. Bonds4

About 2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine

2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 133382557) has the molecular formula C16H19Cl2N5O2S and a molecular weight of 416.33 g/mol. Its IUPAC name is 2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
PubChem CID133382557
Molecular FormulaC16H19Cl2N5O2S
Molecular Weight416.33 g/mol
Exact Mass415.06
IUPAC Name2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)n1
InChIInChI=1S/C16H19Cl2N5O2S/c1-21(2)14-6-7-19-16(20-14)22-8-10-23(11-9-22)26(24,25)15-12(17)4-3-5-13(15)18/h3-7H,8-11H2,1-2H3
InChIKeyHJDHFPFTIUAGRJ-UHFFFAOYSA-N
XLogP2.36
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 133382412
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 133381627
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 44894672
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 166601217
N,N-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 126893881
N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 122332735
2-pyrrolidin-1-yl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 122343717
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone
CID 55686438
2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 121204943
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (CID 133382557) is 2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is CN(C)c1ccnc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)n1.
What is the InChIKey of 2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is HJDHFPFTIUAGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O2S/c1-21(2)14-6-7-19-16(20-14)22-8-10-23(11-9-22)26(24,25)15-12(17)4-3-5-13(15)18/h3-7H,8-11H2,1-2H3.
What are the key properties of 2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 416.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 133382557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).