2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine

C11H14F3N3O2S — CID 170640103

IUPAC2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1ncc(C(F)(F)F)c(N2CCCCC2)n1
InChIInChI=1S/C11H14F3N3O2S/c1-20(18,19)10-15-7-8(11(12,13)14)9(16-10)17-5-3-2-4-6-17/h7H,2-6H2,1H3
InChIKeyCILYHVRLZIMUQL-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.89
Rot. Bonds2

About 2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine

2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine (PubChem CID 170640103) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine
PubChem CID170640103
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1ncc(C(F)(F)F)c(N2CCCCC2)n1
InChIInChI=1S/C11H14F3N3O2S/c1-20(18,19)10-15-7-8(11(12,13)14)9(16-10)17-5-3-2-4-6-17/h7H,2-6H2,1H3
InChIKeyCILYHVRLZIMUQL-UHFFFAOYSA-N
XLogP1.89
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Ethylsulfonyl-5-trifluoromethylpyrimidine
CID 13317023
2-(Methylsulfonyl)-5-(trifluoromethyl)pyrimidine
CID 21983749
[1-[5-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl] methanesulfonate
CID 57708366
N'-(5-fluoro-2-methanesulfonylpyrimidin-4-yl)-N,N-dimethylformamidine
CID 58318919
2-(Methylsulfinyl)-5-(trifluoromethyl)pyrimidine
CID 89511471
4-(4,4-Difluoropiperidin-1-yl)-5-methylpyrimidine
CID 118070997
4-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126356
4-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126383
4-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126386
N-cyclopentyl-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 141160243
[1-[5-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonic acid
CID 153944736
N-chloro-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 156638662

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine (CID 170640103) is 2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine is CS(=O)(=O)c1ncc(C(F)(F)F)c(N2CCCCC2)n1.
What is the InChIKey of 2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine?
The InChIKey is CILYHVRLZIMUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-20(18,19)10-15-7-8(11(12,13)14)9(16-10)17-5-3-2-4-6-17/h7H,2-6H2,1H3.
What are the key properties of 2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine?
2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine has a molecular weight of 309.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-piperidin-1-yl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 170640103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).