2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C10H14F3N3O3 — CID 107484360

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCOc1cc(OC)nc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O3/c1-18-7-5-8(19-2)15-9(14-7)16(3-4-17)6-10(11,12)13/h5,17H,3-4,6H2,1-2H3
InChIKeyXKUWXEQRTFFVES-UHFFFAOYSA-N
MW281.23 g/mol
LogP0.85
Rot. Bonds6

About 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484360) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484360
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCOc1cc(OC)nc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O3/c1-18-7-5-8(19-2)15-9(14-7)16(3-4-17)6-10(11,12)13/h5,17H,3-4,6H2,1-2H3
InChIKeyXKUWXEQRTFFVES-UHFFFAOYSA-N
XLogP0.85
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484360) is 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol is COc1cc(OC)nc(N(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is XKUWXEQRTFFVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c1-18-7-5-8(19-2)15-9(14-7)16(3-4-17)6-10(11,12)13/h5,17H,3-4,6H2,1-2H3.
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 281.23 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).