2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine

C20H25Cl2N5O2S — CID 122333161

IUPAC2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C20H25Cl2N5O2S/c1-14-11-18(17(22)13-16(14)21)30(28,29)27-9-7-26(8-10-27)20-23-15(2)12-19(24-20)25-5-3-4-6-25/h11-13H,3-10H2,1-2H3
InChIKeyASGFVSACYFRQAA-UHFFFAOYSA-N
MW470.43 g/mol
LogP3.51
Rot. Bonds4

About 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine

2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 122333161) has the molecular formula C20H25Cl2N5O2S and a molecular weight of 470.43 g/mol. Its IUPAC name is 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
PubChem CID122333161
Molecular FormulaC20H25Cl2N5O2S
Molecular Weight470.43 g/mol
Exact Mass469.11
IUPAC Name2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C20H25Cl2N5O2S/c1-14-11-18(17(22)13-16(14)21)30(28,29)27-9-7-26(8-10-27)20-23-15(2)12-19(24-20)25-5-3-4-6-25/h11-13H,3-10H2,1-2H3
InChIKeyASGFVSACYFRQAA-UHFFFAOYSA-N
XLogP3.51
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-chloro-2-methoxy-4-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-ylpyrimidine
CID 18566594
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 27478059
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50945548
4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50946303
2-[4-(4-ethoxy-3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 27652034
N-[3-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 122333189
2-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-ylpyrimidine
CID 50945939
4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50946798
4-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 122339651
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339868
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339904
1-[4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 122333204

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine (CID 122333161) is 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine is Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)n1.
What is the InChIKey of 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is ASGFVSACYFRQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N5O2S/c1-14-11-18(17(22)13-16(14)21)30(28,29)27-9-7-26(8-10-27)20-23-15(2)12-19(24-20)25-5-3-4-6-25/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine?
2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 470.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 122333161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).