2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine

C21H19F3N2O2 — CID 145184574

IUPAC2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine
SMILESCc1nccc(OCCc2ccc(Oc3ccc(C)c(C(F)(F)F)c3)cc2)n1
InChIInChI=1S/C21H19F3N2O2/c1-14-3-6-18(13-19(14)21(22,23)24)28-17-7-4-16(5-8-17)10-12-27-20-9-11-25-15(2)26-20/h3-9,11,13H,10,12H2,1-2H3
InChIKeyYGXVDHQPFRDWHN-UHFFFAOYSA-N
MW388.39 g/mol
LogP5.53
Rot. Bonds6

About 2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine

2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine (PubChem CID 145184574) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine
PubChem CID145184574
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine
SMILESCc1nccc(OCCc2ccc(Oc3ccc(C)c(C(F)(F)F)c3)cc2)n1
InChIInChI=1S/C21H19F3N2O2/c1-14-3-6-18(13-19(14)21(22,23)24)28-17-7-4-16(5-8-17)10-12-27-20-9-11-25-15(2)26-20/h3-9,11,13H,10,12H2,1-2H3
InChIKeyYGXVDHQPFRDWHN-UHFFFAOYSA-N
XLogP5.53
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine?
The IUPAC name of 2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine (CID 145184574) is 2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine.
What is the SMILES notation for 2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine?
The canonical SMILES for 2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine is Cc1nccc(OCCc2ccc(Oc3ccc(C)c(C(F)(F)F)c3)cc2)n1.
What is the InChIKey of 2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine?
The InChIKey is YGXVDHQPFRDWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-14-3-6-18(13-19(14)21(22,23)24)28-17-7-4-16(5-8-17)10-12-27-20-9-11-25-15(2)26-20/h3-9,11,13H,10,12H2,1-2H3.
What are the key properties of 2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine?
2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine has a molecular weight of 388.39 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]pyrimidine is sourced from PubChem (CID 145184574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).