ethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate

C12H14F3N3O3 — CID 2808554

IUPACethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C12H14F3N3O3/c1-2-21-10(19)8-7-16-11(17-9(8)12(13,14)15)18-3-5-20-6-4-18/h7H,2-6H2,1H3
InChIKeyBFVSJSUSICBTMB-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.51
Rot. Bonds3

About ethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate

ethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate (PubChem CID 2808554) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is ethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
PubChem CID2808554
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Nameethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C12H14F3N3O3/c1-2-21-10(19)8-7-16-11(17-9(8)12(13,14)15)18-3-5-20-6-4-18/h7H,2-6H2,1H3
InChIKeyBFVSJSUSICBTMB-UHFFFAOYSA-N
XLogP1.51
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate (CID 2808554) is ethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(N2CCOCC2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The InChIKey is BFVSJSUSICBTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-2-21-10(19)8-7-16-11(17-9(8)12(13,14)15)18-3-5-20-6-4-18/h7H,2-6H2,1H3.
What are the key properties of ethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
ethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate has a molecular weight of 305.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 2808554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).