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

C15H14F3N3O3 — CID 67072239

IUPACmethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate
SMILESCOCCc1nc(-c2ccc(C(F)(F)F)nc2)ncc1C(=O)OC
InChIInChI=1S/C15H14F3N3O3/c1-23-6-5-11-10(14(22)24-2)8-20-13(21-11)9-3-4-12(19-7-9)15(16,17)18/h3-4,7-8H,5-6H2,1-2H3
InChIKeyDRPASLYPTQMQDY-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.53
Rot. Bonds5

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

methyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate (PubChem CID 67072239) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is methyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate
PubChem CID67072239
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Namemethyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate
SMILESCOCCc1nc(-c2ccc(C(F)(F)F)nc2)ncc1C(=O)OC
InChIInChI=1S/C15H14F3N3O3/c1-23-6-5-11-10(14(22)24-2)8-20-13(21-11)9-3-4-12(19-7-9)15(16,17)18/h3-4,7-8H,5-6H2,1-2H3
InChIKeyDRPASLYPTQMQDY-UHFFFAOYSA-N
XLogP2.53
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 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 methyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate (CID 67072239) is methyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate is COCCc1nc(-c2ccc(C(F)(F)F)nc2)ncc1C(=O)OC.
What is the InChIKey of methyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate?
The InChIKey is DRPASLYPTQMQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-23-6-5-11-10(14(22)24-2)8-20-13(21-11)9-3-4-12(19-7-9)15(16,17)18/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of methyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate?
methyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate has a molecular weight of 341.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxyethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-5-carboxylate is sourced from PubChem (CID 67072239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).