2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine

C17H22N4O3S — CID 5300804

IUPAC2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(C)n3)CC2)cc1
InChIInChI=1S/C17H22N4O3S/c1-13-12-14(2)19-17(18-13)20-8-10-21(11-9-20)25(22,23)16-6-4-15(24-3)5-7-16/h4-7,12H,8-11H2,1-3H3
InChIKeyRJYFEBFIEBCEPM-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.61
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine

2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine (PubChem CID 5300804) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine
PubChem CID5300804
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(C)n3)CC2)cc1
InChIInChI=1S/C17H22N4O3S/c1-13-12-14(2)19-17(18-13)20-8-10-21(11-9-20)25(22,23)16-6-4-15(24-3)5-7-16/h4-7,12H,8-11H2,1-3H3
InChIKeyRJYFEBFIEBCEPM-UHFFFAOYSA-N
XLogP1.61
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine 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 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine (CID 5300804) is 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine is COc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(C)n3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine?
The InChIKey is RJYFEBFIEBCEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-13-12-14(2)19-17(18-13)20-8-10-21(11-9-20)25(22,23)16-6-4-15(24-3)5-7-16/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine?
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine has a molecular weight of 362.46 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 5300804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).