5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine

C8H10F3N3O2S — CID 2746099

IUPAC5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1cnc(C(F)(F)F)nc1N
InChIInChI=1S/C8H10F3N3O2S/c1-4(2)17(15,16)5-3-13-7(8(9,10)11)14-6(5)12/h3-4H,1-2H3,(H2,12,13,14)
InChIKeyIXXDEFCJMUXIQY-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.26
Rot. Bonds2

About 5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine

5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 2746099) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is 5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID2746099
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1cnc(C(F)(F)F)nc1N
InChIInChI=1S/C8H10F3N3O2S/c1-4(2)17(15,16)5-3-13-7(8(9,10)11)14-6(5)12/h3-4H,1-2H3,(H2,12,13,14)
InChIKeyIXXDEFCJMUXIQY-UHFFFAOYSA-N
XLogP1.26
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(tert-butylsulfonyl)-2-tetrahydro-1H-pyrrol-1-ylpyrimidin-4-amine
CID 2778663
5-(Tert-butylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778670
5-(Tert-butylsulfonyl)-2-methylpyrimidin-4-amine
CID 2778601
5-(Isopropylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778668
5-(Isopropylsulfonyl)-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 2819755
5-(2-Methylpropane-2-sulfonyl)pyrimidine-2,4-diamine
CID 2778671
5-Methanesulfonylpyrimidin-2-amine
CID 57587959
5-Methanesulfonyl-2-(methylsulfanyl)pyrimidin-4-amine
CID 82392895
2-(Trifluoromethyl)pyrimidine-5-sulfonyl chloride
CID 130116306
2-Methyl-5-(propylsulfonyl)pyrimidin-4-amine
CID 2778662
5-Propan-2-ylsulfonylpyrimidine-2,4-diamine
CID 2819789
5-(Methanesulfonyl)pyrimidine
CID 13546183

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 2746099) is 5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine is CC(C)S(=O)(=O)c1cnc(C(F)(F)F)nc1N.
What is the InChIKey of 5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IXXDEFCJMUXIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c1-4(2)17(15,16)5-3-13-7(8(9,10)11)14-6(5)12/h3-4H,1-2H3,(H2,12,13,14).
What are the key properties of 5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine?
5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 269.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 2746099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).