4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine

C20H27N5O3S — CID 70703327

IUPAC4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1
InChIInChI=1S/C20H27N5O3S/c1-16-3-4-17(2)18(15-16)29(26,27)25-9-7-23(8-10-25)19-5-6-21-20(22-19)24-11-13-28-14-12-24/h3-6,15H,7-14H2,1-2H3
InChIKeyZDTUXPCQVDWIGV-UHFFFAOYSA-N
MW417.54 g/mol
LogP1.44
Rot. Bonds4

About 4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine

4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 70703327) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID70703327
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1
InChIInChI=1S/C20H27N5O3S/c1-16-3-4-17(2)18(15-16)29(26,27)25-9-7-23(8-10-25)19-5-6-21-20(22-19)24-11-13-28-14-12-24/h3-6,15H,7-14H2,1-2H3
InChIKeyZDTUXPCQVDWIGV-UHFFFAOYSA-N
XLogP1.44
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine (CID 70703327) is 4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine is Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1.
What is the InChIKey of 4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is ZDTUXPCQVDWIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-16-3-4-17(2)18(15-16)29(26,27)25-9-7-23(8-10-25)19-5-6-21-20(22-19)24-11-13-28-14-12-24/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 417.54 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 70703327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).