4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine

C10H12ClF3N4O2S — CID 106767747

IUPAC4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)N1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H12ClF3N4O2S/c1-21(19,20)18-4-2-17(3-5-18)8-6-7(11)15-9(16-8)10(12,13)14/h6H,2-5H2,1H3
InChIKeyNQAHHCHGOONSSQ-UHFFFAOYSA-N
MW344.75 g/mol
LogP1.23
Rot. Bonds2

About 4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 106767747) has the molecular formula C10H12ClF3N4O2S and a molecular weight of 344.75 g/mol. Its IUPAC name is 4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID106767747
Molecular FormulaC10H12ClF3N4O2S
Molecular Weight344.75 g/mol
Exact Mass344.03
IUPAC Name4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)N1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H12ClF3N4O2S/c1-21(19,20)18-4-2-17(3-5-18)8-6-7(11)15-9(16-8)10(12,13)14/h6H,2-5H2,1H3
InChIKeyNQAHHCHGOONSSQ-UHFFFAOYSA-N
XLogP1.23
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine (CID 106767747) is 4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine is CS(=O)(=O)N1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is NQAHHCHGOONSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4O2S/c1-21(19,20)18-4-2-17(3-5-18)8-6-7(11)15-9(16-8)10(12,13)14/h6H,2-5H2,1H3.
What are the key properties of 4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 344.75 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106767747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).