6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine

C23H26ClN5O2S — CID 122348820

IUPAC6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4cccc(Cl)c4C)CC3)nc(C)n2)cc1
InChIInChI=1S/C23H26ClN5O2S/c1-16-7-9-19(10-8-16)27-22-15-23(26-18(3)25-22)28-11-13-29(14-12-28)32(30,31)21-6-4-5-20(24)17(21)2/h4-10,15H,11-14H2,1-3H3,(H,25,26,27)
InChIKeyWOHAFFYHSRXKNA-UHFFFAOYSA-N
MW472.01 g/mol
LogP4.31
Rot. Bonds5

About 6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine

6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 122348820) has the molecular formula C23H26ClN5O2S and a molecular weight of 472.01 g/mol. Its IUPAC name is 6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
PubChem CID122348820
Molecular FormulaC23H26ClN5O2S
Molecular Weight472.01 g/mol
Exact Mass471.15
IUPAC Name6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4cccc(Cl)c4C)CC3)nc(C)n2)cc1
InChIInChI=1S/C23H26ClN5O2S/c1-16-7-9-19(10-8-16)27-22-15-23(26-18(3)25-22)28-11-13-29(14-12-28)32(30,31)21-6-4-5-20(24)17(21)2/h4-10,15H,11-14H2,1-3H3,(H,25,26,27)
InChIKeyWOHAFFYHSRXKNA-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

6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348823
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348624
4-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 122337856
(2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50748493
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 53047759
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 27505760
6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348613
2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348865
5-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 122348847
6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350055
3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 122339361
6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-methylpyrimidin-4-amine
CID 122351622

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine (CID 122348820) is 6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine is Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4cccc(Cl)c4C)CC3)nc(C)n2)cc1.
What is the InChIKey of 6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is WOHAFFYHSRXKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2S/c1-16-7-9-19(10-8-16)27-22-15-23(26-18(3)25-22)28-11-13-29(14-12-28)32(30,31)21-6-4-5-20(24)17(21)2/h4-10,15H,11-14H2,1-3H3,(H,25,26,27).
What are the key properties of 6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine?
6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-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 6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 122348820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).