6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine

C24H29N5O2S — CID 27463460

IUPAC6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)n1
InChIInChI=1S/C24H29N5O2S/c1-17-14-19(3)22(15-18(17)2)32(30,31)29-12-10-28(11-13-29)24-25-20(4)16-23(27-24)26-21-8-6-5-7-9-21/h5-9,14-16H,10-13H2,1-4H3,(H,25,26,27)
InChIKeyBPDFSSREWAUSKN-UHFFFAOYSA-N
MW451.60 g/mol
LogP3.96
Rot. Bonds5

About 6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine

6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine (PubChem CID 27463460) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is 6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine
PubChem CID27463460
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC Name6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)n1
InChIInChI=1S/C24H29N5O2S/c1-17-14-19(3)22(15-18(17)2)32(30,31)29-12-10-28(11-13-29)24-25-20(4)16-23(27-24)26-21-8-6-5-7-9-21/h5-9,14-16H,10-13H2,1-4H3,(H,25,26,27)
InChIKeyBPDFSSREWAUSKN-UHFFFAOYSA-N
XLogP3.96
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine
CID 53093475
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine
CID 44826804
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 27505760
2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine
CID 53093477
2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346490
6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 122346524
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346548
6-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-ylpyrimidin-4-amine
CID 134410110
2-[4-(3-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 122549460
4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 22585325
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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine (CID 27463460) is 6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine is Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)n1.
What is the InChIKey of 6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine?
The InChIKey is BPDFSSREWAUSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-17-14-19(3)22(15-18(17)2)32(30,31)29-12-10-28(11-13-29)24-25-20(4)16-23(27-24)26-21-8-6-5-7-9-21/h5-9,14-16H,10-13H2,1-4H3,(H,25,26,27).
What are the key properties of 6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine?
6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine has a molecular weight of 451.60 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-phenyl-2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 27463460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).