2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

C11H15F3N4S — CID 80847671

IUPAC2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H15F3N4S/c1-19-10-16-8(15)5-9(17-10)18-4-2-3-7(6-18)11(12,13)14/h5,7H,2-4,6H2,1H3,(H2,15,16,17)
InChIKeyMGTIDJXKMYGEKO-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.56
Rot. Bonds2

About 2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 80847671) has the molecular formula C11H15F3N4S and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID80847671
Molecular FormulaC11H15F3N4S
Molecular Weight292.33 g/mol
Exact Mass292.10
IUPAC Name2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H15F3N4S/c1-19-10-16-8(15)5-9(17-10)18-4-2-3-7(6-18)11(12,13)14/h5,7H,2-4,6H2,1H3,(H2,15,16,17)
InChIKeyMGTIDJXKMYGEKO-UHFFFAOYSA-N
XLogP2.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (CID 80847671) is 2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is CSc1nc(N)cc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is MGTIDJXKMYGEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4S/c1-19-10-16-8(15)5-9(17-10)18-4-2-3-7(6-18)11(12,13)14/h5,7H,2-4,6H2,1H3,(H2,15,16,17).
What are the key properties of 2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 292.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80847671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).