4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine

C18H24N4O3S — CID 42474288

IUPAC4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine
SMILESCCS(=O)(=O)N1CCN(c2cc(Oc3ccc(C)cc3)nc(C)n2)CC1
InChIInChI=1S/C18H24N4O3S/c1-4-26(23,24)22-11-9-21(10-12-22)17-13-18(20-15(3)19-17)25-16-7-5-14(2)6-8-16/h5-8,13H,4,9-12H2,1-3H3
InChIKeyPQKCJEMIZYIDGI-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.36
Rot. Bonds5

About 4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine

4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine (PubChem CID 42474288) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine
PubChem CID42474288
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine
SMILESCCS(=O)(=O)N1CCN(c2cc(Oc3ccc(C)cc3)nc(C)n2)CC1
InChIInChI=1S/C18H24N4O3S/c1-4-26(23,24)22-11-9-21(10-12-22)17-13-18(20-15(3)19-17)25-16-7-5-14(2)6-8-16/h5-8,13H,4,9-12H2,1-3H3
InChIKeyPQKCJEMIZYIDGI-UHFFFAOYSA-N
XLogP2.36
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine?
The IUPAC name of 4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine (CID 42474288) is 4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine.
What is the SMILES notation for 4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine?
The canonical SMILES for 4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine is CCS(=O)(=O)N1CCN(c2cc(Oc3ccc(C)cc3)nc(C)n2)CC1.
What is the InChIKey of 4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine?
The InChIKey is PQKCJEMIZYIDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-4-26(23,24)22-11-9-21(10-12-22)17-13-18(20-15(3)19-17)25-16-7-5-14(2)6-8-16/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of 4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine?
4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine has a molecular weight of 376.48 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine is sourced from PubChem (CID 42474288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).