2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine

C23H26N4O3S — CID 42474275

IUPAC2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCc1ccc(Oc2cc(N3CCN(S(=O)(=O)c4cccc(C)c4)CC3)nc(C)n2)cc1
InChIInChI=1S/C23H26N4O3S/c1-17-7-9-20(10-8-17)30-23-16-22(24-19(3)25-23)26-11-13-27(14-12-26)31(28,29)21-6-4-5-18(2)15-21/h4-10,15-16H,11-14H2,1-3H3
InChIKeySSAXPDKMHCWKAF-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.71
Rot. Bonds5

About 2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine

2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 42474275) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID42474275
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCc1ccc(Oc2cc(N3CCN(S(=O)(=O)c4cccc(C)c4)CC3)nc(C)n2)cc1
InChIInChI=1S/C23H26N4O3S/c1-17-7-9-20(10-8-17)30-23-16-22(24-19(3)25-23)26-11-13-27(14-12-26)31(28,29)21-6-4-5-18(2)15-21/h4-10,15-16H,11-14H2,1-3H3
InChIKeySSAXPDKMHCWKAF-UHFFFAOYSA-N
XLogP3.71
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035214
4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035207
4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-phenoxypyrimidine
CID 121035278
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-phenoxypyrimidine
CID 121035218
1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 3716411
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine
CID 42474017
4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 121035192
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474139
2-methyl-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 46268032

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine (CID 42474275) is 2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine is Cc1ccc(Oc2cc(N3CCN(S(=O)(=O)c4cccc(C)c4)CC3)nc(C)n2)cc1.
What is the InChIKey of 2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is SSAXPDKMHCWKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-17-7-9-20(10-8-17)30-23-16-22(24-19(3)25-23)26-11-13-27(14-12-26)31(28,29)21-6-4-5-18(2)15-21/h4-10,15-16H,11-14H2,1-3H3.
What are the key properties of 2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine?
2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 438.55 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 42474275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).