2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine

C18H25N5O2S — CID 133381627

IUPAC2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nccc(N(C)C)n3)CC2)cc1C
InChIInChI=1S/C18H25N5O2S/c1-14-5-6-16(13-15(14)2)26(24,25)23-11-9-22(10-12-23)18-19-8-7-17(20-18)21(3)4/h5-8,13H,9-12H2,1-4H3
InChIKeyQYYYJZPUBPXMSS-UHFFFAOYSA-N
MW375.50 g/mol
LogP1.67
Rot. Bonds4

About 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine

2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 133381627) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
PubChem CID133381627
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nccc(N(C)C)n3)CC2)cc1C
InChIInChI=1S/C18H25N5O2S/c1-14-5-6-16(13-15(14)2)26(24,25)23-11-9-22(10-12-23)18-19-8-7-17(20-18)21(3)4/h5-8,13H,9-12H2,1-4H3
InChIKeyQYYYJZPUBPXMSS-UHFFFAOYSA-N
XLogP1.67
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.67
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-(2-bromophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 133382412
4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 20896378
2-pyrrolidin-1-yl-4-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56921428
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 44894672
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
CID 82305650
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
N,N,6-trimethyl-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 121032150
1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1293254
4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 122344594

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (CID 133381627) is 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is Cc1ccc(S(=O)(=O)N2CCN(c3nccc(N(C)C)n3)CC2)cc1C.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is QYYYJZPUBPXMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-14-5-6-16(13-15(14)2)26(24,25)23-11-9-22(10-12-23)18-19-8-7-17(20-18)21(3)4/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 375.50 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 133381627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).