4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine

C20H28N4O4S — CID 42474139

IUPAC4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc1
InChIInChI=1S/C20H28N4O4S/c1-5-27-17-6-8-18(9-7-17)29(25,26)24-12-10-23(11-13-24)19-14-20(28-15(2)3)22-16(4)21-19/h6-9,14-15H,5,10-13H2,1-4H3
InChIKeyLISAXQWGTBTQHW-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.48
Rot. Bonds7

About 4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine

4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine (PubChem CID 42474139) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
PubChem CID42474139
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc1
InChIInChI=1S/C20H28N4O4S/c1-5-27-17-6-8-18(9-7-17)29(25,26)24-12-10-23(11-13-24)19-14-20(28-15(2)3)22-16(4)21-19/h6-9,14-15H,5,10-13H2,1-4H3
InChIKeyLISAXQWGTBTQHW-UHFFFAOYSA-N
XLogP2.48
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474150
4-(4,5-dimethylimidazol-1-yl)-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 122345028
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine
CID 42474017
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473902
N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide
CID 42065423
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-ylpyrimidine
CID 27653118
4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 31537662
4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035207
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473952
4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidine
CID 122345029
4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 121035192

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine?
The IUPAC name of 4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine (CID 42474139) is 4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine.
What is the SMILES notation for 4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine?
The canonical SMILES for 4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine is CCOc1ccc(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc1.
What is the InChIKey of 4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine?
The InChIKey is LISAXQWGTBTQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-5-27-17-6-8-18(9-7-17)29(25,26)24-12-10-23(11-13-24)19-14-20(28-15(2)3)22-16(4)21-19/h6-9,14-15H,5,10-13H2,1-4H3.
What are the key properties of 4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine?
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine has a molecular weight of 420.54 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine is sourced from PubChem (CID 42474139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).