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

C8H8F3N3O2 — CID 2737153

IUPACethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)nc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-2-16-6(15)4-3-13-7(12)14-5(4)8(9,10)11/h3H,2H2,1H3,(H2,12,13,14)
InChIKeyOUACXMUEZBQRBJ-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.25
Rot. Bonds2

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

ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate (PubChem CID 2737153) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate
PubChem CID2737153
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Nameethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)nc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-2-16-6(15)4-3-13-7(12)14-5(4)8(9,10)11/h3H,2H2,1H3,(H2,12,13,14)
InChIKeyOUACXMUEZBQRBJ-UHFFFAOYSA-N
XLogP1.25
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.25
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-(trifluoromethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate (CID 2737153) is ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(N)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The InChIKey is OUACXMUEZBQRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-2-16-6(15)4-3-13-7(12)14-5(4)8(9,10)11/h3H,2H2,1H3,(H2,12,13,14).
What are the key properties of ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate?
ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate has a molecular weight of 235.16 g/mol, XLogP of 1.25, 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-(trifluoromethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 2737153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).