6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine

C21H22Cl2N6O2S — CID 122350055

IUPAC6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C21H22Cl2N6O2S/c1-14-11-18(17(23)12-16(14)22)32(30,31)29-9-7-28(8-10-29)21-13-20(25-15(2)26-21)27-19-5-3-4-6-24-19/h3-6,11-13H,7-10H2,1-2H3,(H,24,25,26,27)
InChIKeyPBAADBBSIOJZRD-UHFFFAOYSA-N
MW493.42 g/mol
LogP4.05
Rot. Bonds5

About 6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine

6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 122350055) has the molecular formula C21H22Cl2N6O2S and a molecular weight of 493.42 g/mol. Its IUPAC name is 6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID122350055
Molecular FormulaC21H22Cl2N6O2S
Molecular Weight493.42 g/mol
Exact Mass492.09
IUPAC Name6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C21H22Cl2N6O2S/c1-14-11-18(17(23)12-16(14)22)32(30,31)29-9-7-28(8-10-29)21-13-20(25-15(2)26-21)27-19-5-3-4-6-24-19/h3-6,11-13H,7-10H2,1-2H3,(H,24,25,26,27)
InChIKeyPBAADBBSIOJZRD-UHFFFAOYSA-N
XLogP4.05
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.42
LogP ≤ 54.05
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-(4-methylphenyl)pyrimidin-4-amine
CID 122348823
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122349853
2-methyl-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122350047
6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350054
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350092
1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 122350100
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
6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349017
6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349013
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122348991
6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348820

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine (CID 122350055) is 6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine is Cc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)n1.
What is the InChIKey of 6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is PBAADBBSIOJZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N6O2S/c1-14-11-18(17(23)12-16(14)22)32(30,31)29-9-7-28(8-10-29)21-13-20(25-15(2)26-21)27-19-5-3-4-6-24-19/h3-6,11-13H,7-10H2,1-2H3,(H,24,25,26,27).
What are the key properties of 6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 493.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 122350055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).