4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine

C16H20N4O3S — CID 108781304

IUPAC4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cc(C)ncn3)CC2)cc1
InChIInChI=1S/C16H20N4O3S/c1-13-11-16(18-12-17-13)19-7-9-20(10-8-19)24(21,22)15-5-3-14(23-2)4-6-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDTZPNJVLDLKOBB-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.30
Rot. Bonds4

About 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine

4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine (PubChem CID 108781304) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
PubChem CID108781304
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cc(C)ncn3)CC2)cc1
InChIInChI=1S/C16H20N4O3S/c1-13-11-16(18-12-17-13)19-7-9-20(10-8-19)24(21,22)15-5-3-14(23-2)4-6-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDTZPNJVLDLKOBB-UHFFFAOYSA-N
XLogP1.30
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 90517128
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072478
4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzoic acid
CID 108781305
4-(4,5-dimethylimidazol-1-yl)-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56921466
N-[4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 108781295
4-imidazol-1-yl-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56700031
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163353209
4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517144
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781297

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine?
The IUPAC name of 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine (CID 108781304) is 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine is COc1ccc(S(=O)(=O)N2CCN(c3cc(C)ncn3)CC2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine?
The InChIKey is DTZPNJVLDLKOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-13-11-16(18-12-17-13)19-7-9-20(10-8-19)24(21,22)15-5-3-14(23-2)4-6-15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine?
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine has a molecular weight of 348.43 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 108781304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).