4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine

C15H25FN6O2S — CID 133418605

IUPAC4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1F
InChIInChI=1S/C15H25FN6O2S/c1-3-13-14(16)15(18-12-17-13)20-6-10-22(11-7-20)25(23,24)21-8-4-19(2)5-9-21/h12H,3-11H2,1-2H3
InChIKeyZUPHVIWFJWPODB-UHFFFAOYSA-N
MW372.47 g/mol
LogP-0.21
Rot. Bonds4

About 4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine

4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 133418605) has the molecular formula C15H25FN6O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID133418605
Molecular FormulaC15H25FN6O2S
Molecular Weight372.47 g/mol
Exact Mass372.17
IUPAC Name4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1F
InChIInChI=1S/C15H25FN6O2S/c1-3-13-14(16)15(18-12-17-13)20-6-10-22(11-7-20)25(23,24)21-8-4-19(2)5-9-21/h12H,3-11H2,1-2H3
InChIKeyZUPHVIWFJWPODB-UHFFFAOYSA-N
XLogP-0.21
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine (CID 133418605) is 4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine is CCc1ncnc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is ZUPHVIWFJWPODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN6O2S/c1-3-13-14(16)15(18-12-17-13)20-6-10-22(11-7-20)25(23,24)21-8-4-19(2)5-9-21/h12H,3-11H2,1-2H3.
What are the key properties of 4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine?
4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 372.47 g/mol, XLogP of -0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 133418605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).