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

C24H19F3N4O — CID 118088326

IUPAC2-methyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine
SMILESCc1ncc(-c2ccccc2Cc2cccc(-c3ccc(OCC(F)(F)F)nc3)n2)cn1
InChIInChI=1S/C24H19F3N4O/c1-16-28-13-19(14-29-16)21-7-3-2-5-17(21)11-20-6-4-8-22(31-20)18-9-10-23(30-12-18)32-15-24(25,26)27/h2-10,12-14H,11,15H2,1H3
InChIKeySVMZUTYWCJABDR-UHFFFAOYSA-N
MW436.44 g/mol
LogP5.44
Rot. Bonds6

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

2-methyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine (PubChem CID 118088326) has the molecular formula C24H19F3N4O and a molecular weight of 436.44 g/mol. Its IUPAC name is 2-methyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine
PubChem CID118088326
Molecular FormulaC24H19F3N4O
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC Name2-methyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine
SMILESCc1ncc(-c2ccccc2Cc2cccc(-c3ccc(OCC(F)(F)F)nc3)n2)cn1
InChIInChI=1S/C24H19F3N4O/c1-16-28-13-19(14-29-16)21-7-3-2-5-17(21)11-20-6-4-8-22(31-20)18-9-10-23(30-12-18)32-15-24(25,26)27/h2-10,12-14H,11,15H2,1H3
InChIKeySVMZUTYWCJABDR-UHFFFAOYSA-N
XLogP5.44
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine?
The IUPAC name of 2-methyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine (CID 118088326) is 2-methyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine.
What is the SMILES notation for 2-methyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine?
The canonical SMILES for 2-methyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine is Cc1ncc(-c2ccccc2Cc2cccc(-c3ccc(OCC(F)(F)F)nc3)n2)cn1.
What is the InChIKey of 2-methyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine?
The InChIKey is SVMZUTYWCJABDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O/c1-16-28-13-19(14-29-16)21-7-3-2-5-17(21)11-20-6-4-8-22(31-20)18-9-10-23(30-12-18)32-15-24(25,26)27/h2-10,12-14H,11,15H2,1H3.
What are the key properties of 2-methyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine?
2-methyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine has a molecular weight of 436.44 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidine is sourced from PubChem (CID 118088326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).