4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine

C13H15F3N6O2S — CID 91631574

IUPAC4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCn1cnc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1
InChIInChI=1S/C13H15F3N6O2S/c1-20-7-12(19-9-20)25(23,24)22-4-2-21(3-5-22)11-6-10(13(14,15)16)17-8-18-11/h6-9H,2-5H2,1H3
InChIKeyDHLWYVWDIIXPSL-UHFFFAOYSA-N
MW376.36 g/mol
LogP0.74
Rot. Bonds3

About 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine

4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 91631574) has the molecular formula C13H15F3N6O2S and a molecular weight of 376.36 g/mol. Its IUPAC name is 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID91631574
Molecular FormulaC13H15F3N6O2S
Molecular Weight376.36 g/mol
Exact Mass376.09
IUPAC Name4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCn1cnc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1
InChIInChI=1S/C13H15F3N6O2S/c1-20-7-12(19-9-20)25(23,24)22-4-2-21(3-5-22)11-6-10(13(14,15)16)17-8-18-11/h6-9H,2-5H2,1H3
InChIKeyDHLWYVWDIIXPSL-UHFFFAOYSA-N
XLogP0.74
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine (CID 91631574) is 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine is Cn1cnc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1.
What is the InChIKey of 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is DHLWYVWDIIXPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O2S/c1-20-7-12(19-9-20)25(23,24)22-4-2-21(3-5-22)11-6-10(13(14,15)16)17-8-18-11/h6-9H,2-5H2,1H3.
What are the key properties of 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 376.36 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 91631574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).