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

C7H9F3N4O — CID 106770327

IUPAC2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESNc1cc(NCCO)nc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)6-13-4(11)3-5(14-6)12-1-2-15/h3,15H,1-2H2,(H3,11,12,13,14)
InChIKeyBOSLGFIHEFAKJB-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.48
Rot. Bonds3

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

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (PubChem CID 106770327) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
PubChem CID106770327
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESNc1cc(NCCO)nc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)6-13-4(11)3-5(14-6)12-1-2-15/h3,15H,1-2H2,(H3,11,12,13,14)
InChIKeyBOSLGFIHEFAKJB-UHFFFAOYSA-N
XLogP0.48
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (CID 106770327) is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is Nc1cc(NCCO)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is BOSLGFIHEFAKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)6-13-4(11)3-5(14-6)12-1-2-15/h3,15H,1-2H2,(H3,11,12,13,14).
What are the key properties of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 222.17 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 106770327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).