2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol

C11H16F3N3OS — CID 134202137

IUPAC2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1cc(C(F)(F)F)nc(SC)n1
InChIInChI=1S/C11H16F3N3OS/c1-3-4-17(5-6-18)9-7-8(11(12,13)14)15-10(16-9)19-2/h7,18H,3-6H2,1-2H3
InChIKeyPBLPKCZLVVCKIU-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.43
Rot. Bonds6

About 2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol

2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol (PubChem CID 134202137) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol
PubChem CID134202137
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1cc(C(F)(F)F)nc(SC)n1
InChIInChI=1S/C11H16F3N3OS/c1-3-4-17(5-6-18)9-7-8(11(12,13)14)15-10(16-9)19-2/h7,18H,3-6H2,1-2H3
InChIKeyPBLPKCZLVVCKIU-UHFFFAOYSA-N
XLogP2.43
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol?
The IUPAC name of 2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol (CID 134202137) is 2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol.
What is the SMILES notation for 2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol?
The canonical SMILES for 2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol is CCCN(CCO)c1cc(C(F)(F)F)nc(SC)n1.
What is the InChIKey of 2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol?
The InChIKey is PBLPKCZLVVCKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-3-4-17(5-6-18)9-7-8(11(12,13)14)15-10(16-9)19-2/h7,18H,3-6H2,1-2H3.
What are the key properties of 2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol?
2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol has a molecular weight of 295.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol is sourced from PubChem (CID 134202137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).