4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine

C23H26N4O2S — CID 53071451

IUPAC4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine
SMILESCc1cccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)ncn2)c1
InChIInChI=1S/C23H26N4O2S/c1-17-5-4-6-20(14-17)21-15-23(25-16-24-21)26-9-11-27(12-10-26)30(28,29)22-8-7-18(2)13-19(22)3/h4-8,13-16H,9-12H2,1-3H3
InChIKeyYMEFICFUVNPBQU-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.58
Rot. Bonds4

About 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine

4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine (PubChem CID 53071451) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine
PubChem CID53071451
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine
SMILESCc1cccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)ncn2)c1
InChIInChI=1S/C23H26N4O2S/c1-17-5-4-6-20(14-17)21-15-23(25-16-24-21)26-9-11-27(12-10-26)30(28,29)22-8-7-18(2)13-19(22)3/h4-8,13-16H,9-12H2,1-3H3
InChIKeyYMEFICFUVNPBQU-UHFFFAOYSA-N
XLogP3.58
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[6-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 20933358
4-[4-(4-chloro-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine
CID 90517059
4-(4-fluorophenyl)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121107461
4-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine
CID 90517124
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921727
4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 90517128
4-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517170
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 20896377
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
4-phenyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 56764827
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine
CID 20896403
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine?
The IUPAC name of 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine (CID 53071451) is 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine is Cc1cccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)ncn2)c1.
What is the InChIKey of 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine?
The InChIKey is YMEFICFUVNPBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-17-5-4-6-20(14-17)21-15-23(25-16-24-21)26-9-11-27(12-10-26)30(28,29)22-8-7-18(2)13-19(22)3/h4-8,13-16H,9-12H2,1-3H3.
What are the key properties of 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine?
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine has a molecular weight of 422.55 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylphenyl)pyrimidine is sourced from PubChem (CID 53071451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).