4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine

C16H19FN4O2S — CID 53006604

IUPAC4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine
SMILESCCS(=O)(=O)N1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C16H19FN4O2S/c1-2-24(22,23)21-9-7-20(8-10-21)16-11-15(18-12-19-16)13-3-5-14(17)6-4-13/h3-6,11-12H,2,7-10H2,1H3
InChIKeyOXAUUFIMQWXWRH-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.75
Rot. Bonds4

About 4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine

4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine (PubChem CID 53006604) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine
PubChem CID53006604
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC Name4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine
SMILESCCS(=O)(=O)N1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C16H19FN4O2S/c1-2-24(22,23)21-9-7-20(8-10-21)16-11-15(18-12-19-16)13-3-5-14(17)6-4-13/h3-6,11-12H,2,7-10H2,1H3
InChIKeyOXAUUFIMQWXWRH-UHFFFAOYSA-N
XLogP1.75
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-6-(4-ethylsulfonylpiperazin-1-yl)pyrimidine
CID 53071567
4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-fluorophenyl)pyrimidine
CID 121107473
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-fluorophenyl)pyrimidine
CID 53006608
4-(4-fluorophenyl)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121107461
4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-(4-fluorophenyl)pyrimidine
CID 121107498
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-ethoxyphenyl)pyrimidine
CID 121107411
4-(4-fluorophenyl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121107487
4-(4-benzylsulfonylpiperazin-1-yl)-6-phenylpyrimidine
CID 20933367
4-(4-fluorophenyl)-6-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 121107500
4-(4-fluorophenyl)-6-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121107488
4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(4-ethoxyphenyl)pyrimidine
CID 121107425
4-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342117

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine?
The IUPAC name of 4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine (CID 53006604) is 4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine.
What is the SMILES notation for 4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine?
The canonical SMILES for 4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine is CCS(=O)(=O)N1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1.
What is the InChIKey of 4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine?
The InChIKey is OXAUUFIMQWXWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-2-24(22,23)21-9-7-20(8-10-21)16-11-15(18-12-19-16)13-3-5-14(17)6-4-13/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine?
4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine has a molecular weight of 350.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine is sourced from PubChem (CID 53006604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).