2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine

C10H13F3N4O2S — CID 36615862

IUPAC2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H13F3N4O2S/c1-20(18,19)17-6-4-16(5-7-17)9-14-3-2-8(15-9)10(11,12)13/h2-3H,4-7H2,1H3
InChIKeyHCFPXLFRMVFPAX-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.58
Rot. Bonds2

About 2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine

2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine (PubChem CID 36615862) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
PubChem CID36615862
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H13F3N4O2S/c1-20(18,19)17-6-4-16(5-7-17)9-14-3-2-8(15-9)10(11,12)13/h2-3H,4-7H2,1H3
InChIKeyHCFPXLFRMVFPAX-UHFFFAOYSA-N
XLogP0.58
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine (CID 36615862) is 2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine is CS(=O)(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is HCFPXLFRMVFPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c1-20(18,19)17-6-4-16(5-7-17)9-14-3-2-8(15-9)10(11,12)13/h2-3H,4-7H2,1H3.
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine?
2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 310.30 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 36615862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).