ethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate

C16H16F3N3O3 — CID 67072197

IUPACethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(C(F)(F)F)nc2)nc1CCOC
InChIInChI=1S/C16H16F3N3O3/c1-3-25-15(23)11-9-21-14(22-12(11)6-7-24-2)10-4-5-13(20-8-10)16(17,18)19/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyNRLXANCEPMHCQI-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.92
Rot. Bonds6

About ethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate

ethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate (PubChem CID 67072197) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is ethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate
PubChem CID67072197
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Nameethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(C(F)(F)F)nc2)nc1CCOC
InChIInChI=1S/C16H16F3N3O3/c1-3-25-15(23)11-9-21-14(22-12(11)6-7-24-2)10-4-5-13(20-8-10)16(17,18)19/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyNRLXANCEPMHCQI-UHFFFAOYSA-N
XLogP2.92
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate (CID 67072197) is ethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccc(C(F)(F)F)nc2)nc1CCOC.
What is the InChIKey of ethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate?
The InChIKey is NRLXANCEPMHCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-3-25-15(23)11-9-21-14(22-12(11)6-7-24-2)10-4-5-13(20-8-10)16(17,18)19/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of ethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate?
ethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate has a molecular weight of 355.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate is sourced from PubChem (CID 67072197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).