2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol

C7H8F3N3O — CID 10679819

IUPAC2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol
SMILESNc1ncc(CCO)c(C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5-4(1-2-14)3-12-6(11)13-5/h3,14H,1-2H2,(H2,11,12,13)
InChIKeyJXBKSSCERPGNAU-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.61
Rot. Bonds2

About 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol

2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol (PubChem CID 10679819) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol
PubChem CID10679819
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol
SMILESNc1ncc(CCO)c(C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5-4(1-2-14)3-12-6(11)13-5/h3,14H,1-2H2,(H2,11,12,13)
InChIKeyJXBKSSCERPGNAU-UHFFFAOYSA-N
XLogP0.61
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol (CID 10679819) is 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol is Nc1ncc(CCO)c(C(F)(F)F)n1.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol?
The InChIKey is JXBKSSCERPGNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)5-4(1-2-14)3-12-6(11)13-5/h3,14H,1-2H2,(H2,11,12,13).
What are the key properties of 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol?
2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol has a molecular weight of 207.15 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 10679819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).