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

C9H10F3N3O2 — CID 174891297

IUPACethyl 2-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]acetate
SMILESCCOC(=O)Cc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C9H10F3N3O2/c1-2-17-7(16)4-5-3-6(9(10,11)12)15-8(13)14-5/h3H,2,4H2,1H3,(H2,13,14,15)
InChIKeyOKYWTVLPHHPDOT-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.18
Rot. Bonds3

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

ethyl 2-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]acetate (PubChem CID 174891297) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is ethyl 2-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]acetate
PubChem CID174891297
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Nameethyl 2-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]acetate
SMILESCCOC(=O)Cc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C9H10F3N3O2/c1-2-17-7(16)4-5-3-6(9(10,11)12)15-8(13)14-5/h3H,2,4H2,1H3,(H2,13,14,15)
InChIKeyOKYWTVLPHHPDOT-UHFFFAOYSA-N
XLogP1.18
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]acetate?
The IUPAC name of ethyl 2-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]acetate (CID 174891297) is ethyl 2-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]acetate is CCOC(=O)Cc1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of ethyl 2-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]acetate?
The InChIKey is OKYWTVLPHHPDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-2-17-7(16)4-5-3-6(9(10,11)12)15-8(13)14-5/h3H,2,4H2,1H3,(H2,13,14,15).
What are the key properties of ethyl 2-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]acetate?
ethyl 2-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]acetate has a molecular weight of 249.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]acetate is sourced from PubChem (CID 174891297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).