4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine

C19H25BrN6O2S — CID 122343646

IUPAC4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4Br)CC3)ncn2)CC1
InChIInChI=1S/C19H25BrN6O2S/c1-23-6-8-24(9-7-23)18-14-19(22-15-21-18)25-10-12-26(13-11-25)29(27,28)17-5-3-2-4-16(17)20/h2-5,14-15H,6-13H2,1H3
InChIKeyCGTCPAOBCQWGSI-UHFFFAOYSA-N
MW481.42 g/mol
LogP1.50
Rot. Bonds4

About 4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine

4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 122343646) has the molecular formula C19H25BrN6O2S and a molecular weight of 481.42 g/mol. Its IUPAC name is 4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID122343646
Molecular FormulaC19H25BrN6O2S
Molecular Weight481.42 g/mol
Exact Mass480.09
IUPAC Name4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4Br)CC3)ncn2)CC1
InChIInChI=1S/C19H25BrN6O2S/c1-23-6-8-24(9-7-23)18-14-19(22-15-21-18)25-10-12-26(13-11-25)29(27,28)17-5-3-2-4-16(17)20/h2-5,14-15H,6-13H2,1H3
InChIKeyCGTCPAOBCQWGSI-UHFFFAOYSA-N
XLogP1.50
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.42
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921546
1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 2468104
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921727
4-(4-methylpiperazin-1-yl)-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 122343389
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343590
4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 56922206
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
4-(4-benzylsulfonylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56922983
4-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343397
4-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343394
4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343615
4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343620

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine (CID 122343646) is 4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4Br)CC3)ncn2)CC1.
What is the InChIKey of 4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is CGTCPAOBCQWGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN6O2S/c1-23-6-8-24(9-7-23)18-14-19(22-15-21-18)25-10-12-26(13-11-25)29(27,28)17-5-3-2-4-16(17)20/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine?
4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 481.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 122343646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).