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

C23H24F3N5O3S — CID 122346524

IUPAC6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccccc4OC(F)(F)F)CC3)n2)cc1
InChIInChI=1S/C23H24F3N5O3S/c1-16-7-9-18(10-8-16)28-21-15-17(2)27-22(29-21)30-11-13-31(14-12-30)35(32,33)20-6-4-3-5-19(20)34-23(24,25)26/h3-10,15H,11-14H2,1-2H3,(H,27,28,29)
InChIKeyAMROSQMTDIEGIN-UHFFFAOYSA-N
MW507.54 g/mol
LogP4.25
Rot. Bonds6

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

6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine (PubChem CID 122346524) has the molecular formula C23H24F3N5O3S and a molecular weight of 507.54 g/mol. Its IUPAC name is 6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine
PubChem CID122346524
Molecular FormulaC23H24F3N5O3S
Molecular Weight507.54 g/mol
Exact Mass507.16
IUPAC Name6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccccc4OC(F)(F)F)CC3)n2)cc1
InChIInChI=1S/C23H24F3N5O3S/c1-16-7-9-18(10-8-16)28-21-15-17(2)27-22(29-21)30-11-13-31(14-12-30)35(32,33)20-6-4-3-5-19(20)34-23(24,25)26/h3-10,15H,11-14H2,1-2H3,(H,27,28,29)
InChIKeyAMROSQMTDIEGIN-UHFFFAOYSA-N
XLogP4.25
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 27505760
4-methyl-N-(4-methylphenyl)-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 122348539
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122296035
2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346490
6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 27463460
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
N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122296240
2-(4-cyclopropylsulfonylpiperazin-1-yl)-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346493
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346548
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923552
1-(2,4-dimethylphenyl)sulfonyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 55512284

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine (CID 122346524) is 6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine is Cc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccccc4OC(F)(F)F)CC3)n2)cc1.
What is the InChIKey of 6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine?
The InChIKey is AMROSQMTDIEGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3S/c1-16-7-9-18(10-8-16)28-21-15-17(2)27-22(29-21)30-11-13-31(14-12-30)35(32,33)20-6-4-3-5-19(20)34-23(24,25)26/h3-10,15H,11-14H2,1-2H3,(H,27,28,29).
What are the key properties of 6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine?
6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine has a molecular weight of 507.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 122346524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).