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

C9H10F3N3O2 — CID 66658484

IUPACethyl 4-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(F)(F)F)nc1NC
InChIInChI=1S/C9H10F3N3O2/c1-3-17-7(16)5-4-14-8(9(10,11)12)15-6(5)13-2/h4H,3H2,1-2H3,(H,13,14,15)
InChIKeyCUVJPFNDUCVETK-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.71
Rot. Bonds3

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

ethyl 4-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate (PubChem CID 66658484) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is ethyl 4-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate
PubChem CID66658484
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Nameethyl 4-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(F)(F)F)nc1NC
InChIInChI=1S/C9H10F3N3O2/c1-3-17-7(16)5-4-14-8(9(10,11)12)15-6(5)13-2/h4H,3H2,1-2H3,(H,13,14,15)
InChIKeyCUVJPFNDUCVETK-UHFFFAOYSA-N
XLogP1.71
TPSA64.11 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate (CID 66658484) is ethyl 4-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(F)(F)F)nc1NC.
What is the InChIKey of ethyl 4-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The InChIKey is CUVJPFNDUCVETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-3-17-7(16)5-4-14-8(9(10,11)12)15-6(5)13-2/h4H,3H2,1-2H3,(H,13,14,15).
What are the key properties of ethyl 4-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate?
ethyl 4-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate has a molecular weight of 249.19 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 66658484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).