4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine

C16H24N6O2S — CID 70703344

IUPAC4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine
SMILESCCS(=O)(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)n2)CC1
InChIInChI=1S/C16H24N6O2S/c1-5-25(23,24)21-8-6-20(7-9-21)15-10-16(19-14(4)18-15)22-11-17-12(2)13(22)3/h10-11H,5-9H2,1-4H3
InChIKeyWFTAGYIMMAHHAG-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.06
Rot. Bonds4

About 4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine

4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine (PubChem CID 70703344) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine
PubChem CID70703344
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine
SMILESCCS(=O)(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)n2)CC1
InChIInChI=1S/C16H24N6O2S/c1-5-25(23,24)21-8-6-20(7-9-21)15-10-16(19-14(4)18-15)22-11-17-12(2)13(22)3/h10-11H,5-9H2,1-4H3
InChIKeyWFTAGYIMMAHHAG-UHFFFAOYSA-N
XLogP1.06
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine (CID 70703344) is 4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine is CCS(=O)(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)n2)CC1.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine?
The InChIKey is WFTAGYIMMAHHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-5-25(23,24)21-8-6-20(7-9-21)15-10-16(19-14(4)18-15)22-11-17-12(2)13(22)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine?
4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine has a molecular weight of 364.48 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine is sourced from PubChem (CID 70703344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).