6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine

C20H21ClN6O2S — CID 122349853

IUPAC6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C20H21ClN6O2S/c1-15-23-19(25-18-7-2-3-8-22-18)14-20(24-15)26-9-11-27(12-10-26)30(28,29)17-6-4-5-16(21)13-17/h2-8,13-14H,9-12H2,1H3,(H,22,23,24,25)
InChIKeyUIBVXPJLYHVZIA-UHFFFAOYSA-N
MW444.95 g/mol
LogP3.09
Rot. Bonds5

About 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine

6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 122349853) has the molecular formula C20H21ClN6O2S and a molecular weight of 444.95 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID122349853
Molecular FormulaC20H21ClN6O2S
Molecular Weight444.95 g/mol
Exact Mass444.11
IUPAC Name6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C20H21ClN6O2S/c1-15-23-19(25-18-7-2-3-8-22-18)14-20(24-15)26-9-11-27(12-10-26)30(28,29)17-6-4-5-16(21)13-17/h2-8,13-14H,9-12H2,1H3,(H,22,23,24,25)
InChIKeyUIBVXPJLYHVZIA-UHFFFAOYSA-N
XLogP3.09
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.95
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350055
6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350054
2-methyl-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122350047
1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 122350100
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350092
6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350061
2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122350088
N-(3-chlorophenyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875542
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122348991
6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349016
4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50946303
6-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 121064991

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine (CID 122349853) is 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine is Cc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is UIBVXPJLYHVZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2S/c1-15-23-19(25-18-7-2-3-8-22-18)14-20(24-15)26-9-11-27(12-10-26)30(28,29)17-6-4-5-16(21)13-17/h2-8,13-14H,9-12H2,1H3,(H,22,23,24,25).
What are the key properties of 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 444.95 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 122349853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).