2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine

C16H20N4O4S — CID 3741741

IUPAC2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C16H20N4O4S/c1-23-13-4-5-14(24-2)15(12-13)25(21,22)20-10-8-19(9-11-20)16-17-6-3-7-18-16/h3-7,12H,8-11H2,1-2H3
InChIKeyHBYFLUJEVATBGV-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.00
Rot. Bonds5

About 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine

2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 3741741) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID3741741
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C16H20N4O4S/c1-23-13-4-5-14(24-2)15(12-13)25(21,22)20-10-8-19(9-11-20)16-17-6-3-7-18-16/h3-7,12H,8-11H2,1-2H3
InChIKeyHBYFLUJEVATBGV-UHFFFAOYSA-N
XLogP1.00
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine (CID 3741741) is 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine is COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is HBYFLUJEVATBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-23-13-4-5-14(24-2)15(12-13)25(21,22)20-10-8-19(9-11-20)16-17-6-3-7-18-16/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine?
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 364.43 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 3741741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).