2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol

C14H14F3N3O3S — CID 58878046

IUPAC2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
SMILESCS(=O)(=O)c1nc(NCCO)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3N3O3S/c1-24(22,23)13-19-11(8-12(20-13)18-5-6-21)9-3-2-4-10(7-9)14(15,16)17/h2-4,7-8,21H,5-6H2,1H3,(H,18,19,20)
InChIKeyFGGFQJOUHIWMNJ-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.97
Rot. Bonds5

About 2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol

2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol (PubChem CID 58878046) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
PubChem CID58878046
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC Name2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
SMILESCS(=O)(=O)c1nc(NCCO)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3N3O3S/c1-24(22,23)13-19-11(8-12(20-13)18-5-6-21)9-3-2-4-10(7-9)14(15,16)17/h2-4,7-8,21H,5-6H2,1H3,(H,18,19,20)
InChIKeyFGGFQJOUHIWMNJ-UHFFFAOYSA-N
XLogP1.97
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol (CID 58878046) is 2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol is CS(=O)(=O)c1nc(NCCO)cc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is FGGFQJOUHIWMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c1-24(22,23)13-19-11(8-12(20-13)18-5-6-21)9-3-2-4-10(7-9)14(15,16)17/h2-4,7-8,21H,5-6H2,1H3,(H,18,19,20).
What are the key properties of 2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 361.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 58878046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).