4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine

C24H29N5O2S — CID 53093497

IUPAC4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine
SMILESCc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1
InChIInChI=1S/C24H29N5O2S/c1-19-17-23(27-11-5-2-6-12-27)26-24(25-19)28-13-15-29(16-14-28)32(30,31)22-10-9-20-7-3-4-8-21(20)18-22/h3-4,7-10,17-18H,2,5-6,11-16H2,1H3
InChIKeyPMNNDXYKXYXJLY-UHFFFAOYSA-N
MW451.60 g/mol
LogP3.44
Rot. Bonds4

About 4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine

4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine (PubChem CID 53093497) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is 4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine
PubChem CID53093497
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC Name4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine
SMILESCc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1
InChIInChI=1S/C24H29N5O2S/c1-19-17-23(27-11-5-2-6-12-27)26-24(25-19)28-13-15-29(16-14-28)32(30,31)22-10-9-20-7-3-4-8-21(20)18-22/h3-4,7-10,17-18H,2,5-6,11-16H2,1H3
InChIKeyPMNNDXYKXYXJLY-UHFFFAOYSA-N
XLogP3.44
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 122344045
4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50946303
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-ylpyrimidine
CID 27653118
4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50946798
1-[3-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 122333157
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339868
4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339882
1-[4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 122333204
N-ethyl-4-methyl-6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 53047728
4-[4-(4-ethoxy-3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339883
4-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 122339651
4-[6-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 27477978

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine (CID 53093497) is 4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine is Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1.
What is the InChIKey of 4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine?
The InChIKey is PMNNDXYKXYXJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-19-17-23(27-11-5-2-6-12-27)26-24(25-19)28-13-15-29(16-14-28)32(30,31)22-10-9-20-7-3-4-8-21(20)18-22/h3-4,7-10,17-18H,2,5-6,11-16H2,1H3.
What are the key properties of 4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine?
4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine has a molecular weight of 451.60 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 53093497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).