4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine

C22H24ClN5O2S — CID 53047759

IUPAC4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2nc(C)cc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)cc1
InChIInChI=1S/C22H24ClN5O2S/c1-16-7-9-18(10-8-16)25-22-24-17(2)15-21(26-22)27-11-13-28(14-12-27)31(29,30)20-6-4-3-5-19(20)23/h3-10,15H,11-14H2,1-2H3,(H,24,25,26)
InChIKeyPJHFXKUUHAPNIU-UHFFFAOYSA-N
MW457.99 g/mol
LogP4.00
Rot. Bonds5

About 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine

4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine (PubChem CID 53047759) has the molecular formula C22H24ClN5O2S and a molecular weight of 457.99 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
PubChem CID53047759
Molecular FormulaC22H24ClN5O2S
Molecular Weight457.99 g/mol
Exact Mass457.13
IUPAC Name4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2nc(C)cc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)cc1
InChIInChI=1S/C22H24ClN5O2S/c1-16-7-9-18(10-8-16)25-22-24-17(2)15-21(26-22)27-11-13-28(14-12-27)31(29,30)20-6-4-3-5-19(20)23/h3-10,15H,11-14H2,1-2H3,(H,24,25,26)
InChIKeyPJHFXKUUHAPNIU-UHFFFAOYSA-N
XLogP4.00
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.99
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 53047743
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 53047748
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 53047734
4-methyl-N-(4-methylphenyl)-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 122348539
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 27505760
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 112923615
4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 122348515
6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348820
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 27478059
3-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 44826889
1-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194155
2-(2-chloro-6-fluorophenyl)-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122348491

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine (CID 53047759) is 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine is Cc1ccc(Nc2nc(C)cc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)cc1.
What is the InChIKey of 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine?
The InChIKey is PJHFXKUUHAPNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2S/c1-16-7-9-18(10-8-16)25-22-24-17(2)15-21(26-22)27-11-13-28(14-12-27)31(29,30)20-6-4-3-5-19(20)23/h3-10,15H,11-14H2,1-2H3,(H,24,25,26).
What are the key properties of 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine?
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine has a molecular weight of 457.99 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 53047759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).