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

C11H12F3N3O2 — CID 102972606

IUPACethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CC2)nc1C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c1-2-19-9(18)7-5-15-10(16-6-3-4-6)17-8(7)11(12,13)14/h5-6H,2-4H2,1H3,(H,15,16,17)
InChIKeyWMEVGFRGDYQMQZ-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.25
Rot. Bonds4

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

ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate (PubChem CID 102972606) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
PubChem CID102972606
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Nameethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CC2)nc1C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c1-2-19-9(18)7-5-15-10(16-6-3-4-6)17-8(7)11(12,13)14/h5-6H,2-4H2,1H3,(H,15,16,17)
InChIKeyWMEVGFRGDYQMQZ-UHFFFAOYSA-N
XLogP2.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate (CID 102972606) is ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC2CC2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The InChIKey is WMEVGFRGDYQMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c1-2-19-9(18)7-5-15-10(16-6-3-4-6)17-8(7)11(12,13)14/h5-6H,2-4H2,1H3,(H,15,16,17).
What are the key properties of ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate?
ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate has a molecular weight of 275.23 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 102972606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).