2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine

C24H19F3N4O2 — CID 118073512

IUPAC2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine
SMILESCOc1ncc(-c2ccccc2Cc2cccc(-c3ccc(OCC(F)(F)F)nc3)n2)cn1
InChIInChI=1S/C24H19F3N4O2/c1-32-23-29-13-18(14-30-23)20-7-3-2-5-16(20)11-19-6-4-8-21(31-19)17-9-10-22(28-12-17)33-15-24(25,26)27/h2-10,12-14H,11,15H2,1H3
InChIKeyRLUMZZIYKOKVOA-UHFFFAOYSA-N
MW452.44 g/mol
LogP5.14
Rot. Bonds7

About 2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine

2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine (PubChem CID 118073512) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is 2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine
PubChem CID118073512
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC Name2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine
SMILESCOc1ncc(-c2ccccc2Cc2cccc(-c3ccc(OCC(F)(F)F)nc3)n2)cn1
InChIInChI=1S/C24H19F3N4O2/c1-32-23-29-13-18(14-30-23)20-7-3-2-5-16(20)11-19-6-4-8-21(31-19)17-9-10-22(28-12-17)33-15-24(25,26)27/h2-10,12-14H,11,15H2,1H3
InChIKeyRLUMZZIYKOKVOA-UHFFFAOYSA-N
XLogP5.14
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.44
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine 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 2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine?
The IUPAC name of 2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine (CID 118073512) is 2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine is COc1ncc(-c2ccccc2Cc2cccc(-c3ccc(OCC(F)(F)F)nc3)n2)cn1.
What is the InChIKey of 2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine?
The InChIKey is RLUMZZIYKOKVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c1-32-23-29-13-18(14-30-23)20-7-3-2-5-16(20)11-19-6-4-8-21(31-19)17-9-10-22(28-12-17)33-15-24(25,26)27/h2-10,12-14H,11,15H2,1H3.
What are the key properties of 2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine?
2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine has a molecular weight of 452.44 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine is sourced from PubChem (CID 118073512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).