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

C19H15F3N2O2 — CID 67657199

IUPAC4-[4-methyl-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCc1ccc(Oc2ccncn2)c(OCc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C19H15F3N2O2/c1-13-7-8-15(26-16-9-10-23-12-24-16)18(17(13)19(20,21)22)25-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyIPUYXCPJUWOYTK-UHFFFAOYSA-N
MW360.34 g/mol
LogP5.18
Rot. Bonds5

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

4-[4-methyl-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 67657199) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-[4-methyl-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4-[4-methyl-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID67657199
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name4-[4-methyl-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCc1ccc(Oc2ccncn2)c(OCc2ccccc2)c1C(F)(F)F
InChIInChI=1S/C19H15F3N2O2/c1-13-7-8-15(26-16-9-10-23-12-24-16)18(17(13)19(20,21)22)25-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyIPUYXCPJUWOYTK-UHFFFAOYSA-N
XLogP5.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.34
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 4-[4-methyl-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine (CID 67657199) is 4-[4-methyl-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4-[4-methyl-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 4-[4-methyl-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine is Cc1ccc(Oc2ccncn2)c(OCc2ccccc2)c1C(F)(F)F.
What is the InChIKey of 4-[4-methyl-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is IPUYXCPJUWOYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c1-13-7-8-15(26-16-9-10-23-12-24-16)18(17(13)19(20,21)22)25-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3.
What are the key properties of 4-[4-methyl-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine?
4-[4-methyl-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 360.34 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 67657199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).