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

C11H15F3N4O2S — CID 91631624

IUPAC2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(N2CCN(S(C)(=O)=O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O2S/c1-8-15-9(11(12,13)14)7-10(16-8)17-3-5-18(6-4-17)21(2,19)20/h7H,3-6H2,1-2H3
InChIKeyOIUHOOAFSNKMDS-UHFFFAOYSA-N
MW324.33 g/mol
LogP0.89
Rot. Bonds2

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

2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 91631624) has the molecular formula C11H15F3N4O2S and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID91631624
Molecular FormulaC11H15F3N4O2S
Molecular Weight324.33 g/mol
Exact Mass324.09
IUPAC Name2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(N2CCN(S(C)(=O)=O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O2S/c1-8-15-9(11(12,13)14)7-10(16-8)17-3-5-18(6-4-17)21(2,19)20/h7H,3-6H2,1-2H3
InChIKeyOIUHOOAFSNKMDS-UHFFFAOYSA-N
XLogP0.89
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-sulfonamide
CID 9819260
N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 40104034
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807407
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)propane-1-sulfonamide
CID 71807408
N-((4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807438
4-(4-(Cyclopropylsulfonyl)piperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 91631573
4-Methyl-2-(1-methylsulfonylpyrrolidin-2-yl)-6-(trifluoromethyl)pyrimidine
CID 110259453
4-(4-Mesyl-1-piperazinyl)-6-methylpyrimidine
CID 14838566
4-(4-Ethylpiperazino)-2,6-dimethylpyrimidine
CID 16876770
4-Methyl-6-(4-methyl-1-piperazinyl)-2-propylpyrimidine
CID 23610303
N-ethyl-6-methyl-2-(4-(propylsulfonyl)piperazin-1-yl)pyrimidin-4-amine
CID 31481356
N-{[4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methyl}methanesulfonamide
CID 73167998

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine (CID 91631624) is 2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine is Cc1nc(N2CCN(S(C)(=O)=O)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is OIUHOOAFSNKMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2S/c1-8-15-9(11(12,13)14)7-10(16-8)17-3-5-18(6-4-17)21(2,19)20/h7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine?
2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 324.33 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 91631624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).