2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine

C23H26ClN5O2S — CID 122346490

IUPAC2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4cc(Cl)ccc4C)CC3)n2)cc1
InChIInChI=1S/C23H26ClN5O2S/c1-16-4-8-20(9-5-16)26-22-14-18(3)25-23(27-22)28-10-12-29(13-11-28)32(30,31)21-15-19(24)7-6-17(21)2/h4-9,14-15H,10-13H2,1-3H3,(H,25,26,27)
InChIKeyPTWXUFZSLQUPGX-UHFFFAOYSA-N
MW472.01 g/mol
LogP4.31
Rot. Bonds5

About 2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine

2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 122346490) has the molecular formula C23H26ClN5O2S and a molecular weight of 472.01 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
PubChem CID122346490
Molecular FormulaC23H26ClN5O2S
Molecular Weight472.01 g/mol
Exact Mass471.15
IUPAC Name2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4cc(Cl)ccc4C)CC3)n2)cc1
InChIInChI=1S/C23H26ClN5O2S/c1-16-4-8-20(9-5-16)26-22-14-18(3)25-23(27-22)28-10-12-29(13-11-28)32(30,31)21-15-19(24)7-6-17(21)2/h4-9,14-15H,10-13H2,1-3H3,(H,25,26,27)
InChIKeyPTWXUFZSLQUPGX-UHFFFAOYSA-N
XLogP4.31
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 27505760
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346548
2-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346504
6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 27463460
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
CID 18566578
2-(4-cyclopropylsulfonylpiperazin-1-yl)-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346493
6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 122346524
2-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346510
6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine
CID 134410110
6-methyl-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperazin-1-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 22585381
2-(2,4-dichlorophenoxy)-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031951
2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 122549460

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine (CID 122346490) is 2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine is Cc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4cc(Cl)ccc4C)CC3)n2)cc1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is PTWXUFZSLQUPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2S/c1-16-4-8-20(9-5-16)26-22-14-18(3)25-23(27-22)28-10-12-29(13-11-28)32(30,31)21-15-19(24)7-6-17(21)2/h4-9,14-15H,10-13H2,1-3H3,(H,25,26,27).
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 472.01 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 122346490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).