ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate

C12H14F4N2O3 — CID 103476111

IUPACethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(COCC(F)(F)C(F)F)nc1C
InChIInChI=1S/C12H14F4N2O3/c1-3-21-10(19)8-4-17-9(18-7(8)2)5-20-6-12(15,16)11(13)14/h4,11H,3,5-6H2,1-2H3
InChIKeyLZWJEKKFXJXRLI-UHFFFAOYSA-N
MW310.25 g/mol
LogP2.38
Rot. Bonds7

About ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate

ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate (PubChem CID 103476111) has the molecular formula C12H14F4N2O3 and a molecular weight of 310.25 g/mol. Its IUPAC name is ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
PubChem CID103476111
Molecular FormulaC12H14F4N2O3
Molecular Weight310.25 g/mol
Exact Mass310.09
IUPAC Nameethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(COCC(F)(F)C(F)F)nc1C
InChIInChI=1S/C12H14F4N2O3/c1-3-21-10(19)8-4-17-9(18-7(8)2)5-20-6-12(15,16)11(13)14/h4,11H,3,5-6H2,1-2H3
InChIKeyLZWJEKKFXJXRLI-UHFFFAOYSA-N
XLogP2.38
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-amino-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103477235
ethyl 4-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
CID 102972374
ethyl 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine-5-carboxylate
CID 103476114
4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylic acid
CID 103476099
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
CID 102972424
ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
CID 116646813
ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102972473
ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate
CID 103473342
ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate
CID 102972537
4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide
CID 103477251
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 2-(2,2,3,3-tetrafluoropropoxy)benzoate
CID 19622898

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate (CID 103476111) is ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(COCC(F)(F)C(F)F)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate?
The InChIKey is LZWJEKKFXJXRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O3/c1-3-21-10(19)8-4-17-9(18-7(8)2)5-20-6-12(15,16)11(13)14/h4,11H,3,5-6H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate?
ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate has a molecular weight of 310.25 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 103476111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).