methyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate

C10H9F3N2O3 — CID 125495122

IUPACmethyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate
SMILESC=Cc1ncnc(OCC(F)(F)F)c1C(=O)OC
InChIInChI=1S/C10H9F3N2O3/c1-3-6-7(9(16)17-2)8(15-5-14-6)18-4-10(11,12)13/h3,5H,1,4H2,2H3
InChIKeySNEDAQUQMISPCR-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.85
Rot. Bonds4

About methyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate

methyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate (PubChem CID 125495122) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is methyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate
PubChem CID125495122
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Namemethyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate
SMILESC=Cc1ncnc(OCC(F)(F)F)c1C(=O)OC
InChIInChI=1S/C10H9F3N2O3/c1-3-6-7(9(16)17-2)8(15-5-14-6)18-4-10(11,12)13/h3,5H,1,4H2,2H3
InChIKeySNEDAQUQMISPCR-UHFFFAOYSA-N
XLogP1.85
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate (CID 125495122) is methyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate is C=Cc1ncnc(OCC(F)(F)F)c1C(=O)OC.
What is the InChIKey of methyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate?
The InChIKey is SNEDAQUQMISPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c1-3-6-7(9(16)17-2)8(15-5-14-6)18-4-10(11,12)13/h3,5H,1,4H2,2H3.
What are the key properties of methyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate?
methyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate has a molecular weight of 262.19 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate is sourced from PubChem (CID 125495122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).