2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol

C8H10F3N3O — CID 60732038

IUPAC2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
SMILESCN(CCO)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-14(4-5-15)7-12-3-2-6(13-7)8(9,10)11/h2-3,15H,4-5H2,1H3
InChIKeyBXWINKKIVSYXHY-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.92
Rot. Bonds3

About 2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol

2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol (PubChem CID 60732038) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
PubChem CID60732038
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
SMILESCN(CCO)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-14(4-5-15)7-12-3-2-6(13-7)8(9,10)11/h2-3,15H,4-5H2,1H3
InChIKeyBXWINKKIVSYXHY-UHFFFAOYSA-N
XLogP0.92
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol (CID 60732038) is 2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol is CN(CCO)c1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is BXWINKKIVSYXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-14(4-5-15)7-12-3-2-6(13-7)8(9,10)11/h2-3,15H,4-5H2,1H3.
What are the key properties of 2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 221.18 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 60732038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).