4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine

C17H22N4O4S — CID 42473791

IUPAC4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cc(OC)nc(C)n3)CC2)cc1
InChIInChI=1S/C17H22N4O4S/c1-13-18-16(12-17(19-13)25-3)20-8-10-21(11-9-20)26(22,23)15-6-4-14(24-2)5-7-15/h4-7,12H,8-11H2,1-3H3
InChIKeyKESXFSMZFIMOLZ-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.31
Rot. Bonds5

About 4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine

4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine (PubChem CID 42473791) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
PubChem CID42473791
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cc(OC)nc(C)n3)CC2)cc1
InChIInChI=1S/C17H22N4O4S/c1-13-18-16(12-17(19-13)25-3)20-8-10-21(11-9-20)26(22,23)15-6-4-14(24-2)5-7-15/h4-7,12H,8-11H2,1-3H3
InChIKeyKESXFSMZFIMOLZ-UHFFFAOYSA-N
XLogP1.31
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 121035192
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine
CID 42474017
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 122332455
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
4-methoxy-2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121035183
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474139
4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035219
4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 42474236
4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473902
4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 122332434
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474150
4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine
CID 42154688

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine (CID 42473791) is 4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine is COc1ccc(S(=O)(=O)N2CCN(c3cc(OC)nc(C)n3)CC2)cc1.
What is the InChIKey of 4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine?
The InChIKey is KESXFSMZFIMOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-13-18-16(12-17(19-13)25-3)20-8-10-21(11-9-20)26(22,23)15-6-4-14(24-2)5-7-15/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine?
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine has a molecular weight of 378.45 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 42473791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).