ethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate

C9H10F3N3O2 — CID 83401337

IUPACethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N)nc1C(F)(F)F
InChIInChI=1S/C9H10F3N3O2/c1-3-17-7(16)5-4(2)14-8(13)15-6(5)9(10,11)12/h3H2,1-2H3,(H2,13,14,15)
InChIKeyRAVWFPVKZBPUTQ-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.56
Rot. Bonds2

About ethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate

ethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate (PubChem CID 83401337) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is ethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate
PubChem CID83401337
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Nameethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N)nc1C(F)(F)F
InChIInChI=1S/C9H10F3N3O2/c1-3-17-7(16)5-4(2)14-8(13)15-6(5)9(10,11)12/h3H2,1-2H3,(H2,13,14,15)
InChIKeyRAVWFPVKZBPUTQ-UHFFFAOYSA-N
XLogP1.56
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate (CID 83401337) is ethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(N)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate?
The InChIKey is RAVWFPVKZBPUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-3-17-7(16)5-4(2)14-8(13)15-6(5)9(10,11)12/h3H2,1-2H3,(H2,13,14,15).
What are the key properties of ethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate?
ethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate has a molecular weight of 249.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 83401337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).