4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

C16H27N5O3S — CID 50972329

IUPAC4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESCCc1cc(N2CCN(S(=O)(=O)CC)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H27N5O3S/c1-3-14-13-15(18-16(17-14)20-9-11-24-12-10-20)19-5-7-21(8-6-19)25(22,23)4-2/h13H,3-12H2,1-2H3
InChIKeyWCCVYPOYBAYRHC-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.35
Rot. Bonds5

About 4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (PubChem CID 50972329) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
PubChem CID50972329
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC Name4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESCCc1cc(N2CCN(S(=O)(=O)CC)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H27N5O3S/c1-3-14-13-15(18-16(17-14)20-9-11-24-12-10-20)19-5-7-21(8-6-19)25(22,23)4-2/h13H,3-12H2,1-2H3
InChIKeyWCCVYPOYBAYRHC-UHFFFAOYSA-N
XLogP0.35
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (CID 50972329) is 4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is CCc1cc(N2CCN(S(=O)(=O)CC)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The InChIKey is WCCVYPOYBAYRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-3-14-13-15(18-16(17-14)20-9-11-24-12-10-20)19-5-7-21(8-6-19)25(22,23)4-2/h13H,3-12H2,1-2H3.
What are the key properties of 4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine has a molecular weight of 369.49 g/mol, XLogP of 0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 50972329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).