4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine

C22H25N5O2S — CID 56584266

IUPAC4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccn4)nc(C)c3C)CC2)cc1
InChIInChI=1S/C22H25N5O2S/c1-16-7-9-19(10-8-16)30(28,29)27-14-12-26(13-15-27)22-17(2)18(3)24-21(25-22)20-6-4-5-11-23-20/h4-11H,12-15H2,1-3H3
InChIKeyXNENKXLAYKEOMG-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.97
Rot. Bonds4

About 4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine

4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine (PubChem CID 56584266) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine
PubChem CID56584266
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC Name4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccn4)nc(C)c3C)CC2)cc1
InChIInChI=1S/C22H25N5O2S/c1-16-7-9-19(10-8-16)30(28,29)27-14-12-26(13-15-27)22-17(2)18(3)24-21(25-22)20-6-4-5-11-23-20/h4-11H,12-15H2,1-3H3
InChIKeyXNENKXLAYKEOMG-UHFFFAOYSA-N
XLogP2.97
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylic acid
CID 45422859
4-[4-(1-methoxypropan-2-yl)piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 133294526
1-benzyl-4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepane
CID 56585223
5-benzyl-4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(4-methylphenyl)pyrimidine
CID 46131978
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122348991
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 50945710
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 122624212
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
CID 31014988
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
CID 31007687
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 2822709
4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 56564094
4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine (CID 56584266) is 4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine is Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccn4)nc(C)c3C)CC2)cc1.
What is the InChIKey of 4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine?
The InChIKey is XNENKXLAYKEOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-16-7-9-19(10-8-16)30(28,29)27-14-12-26(13-15-27)22-17(2)18(3)24-21(25-22)20-6-4-5-11-23-20/h4-11H,12-15H2,1-3H3.
What are the key properties of 4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine?
4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine has a molecular weight of 423.54 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 56584266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).