4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine

C16H17F3N2O — CID 56701958

IUPAC4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
SMILESCOC(C)c1cccc(-c2nc(C(F)(F)F)nc(C)c2C)c1
InChIInChI=1S/C16H17F3N2O/c1-9-10(2)20-15(16(17,18)19)21-14(9)13-7-5-6-12(8-13)11(3)22-4/h5-8,11H,1-4H3
InChIKeyOIDDOUFZMOUQMM-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.49
Rot. Bonds3

About 4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine

4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine (PubChem CID 56701958) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
PubChem CID56701958
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
SMILESCOC(C)c1cccc(-c2nc(C(F)(F)F)nc(C)c2C)c1
InChIInChI=1S/C16H17F3N2O/c1-9-10(2)20-15(16(17,18)19)21-14(9)13-7-5-6-12(8-13)11(3)22-4/h5-8,11H,1-4H3
InChIKeyOIDDOUFZMOUQMM-UHFFFAOYSA-N
XLogP4.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine (CID 56701958) is 4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine is COC(C)c1cccc(-c2nc(C(F)(F)F)nc(C)c2C)c1.
What is the InChIKey of 4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is OIDDOUFZMOUQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-9-10(2)20-15(16(17,18)19)21-14(9)13-7-5-6-12(8-13)11(3)22-4/h5-8,11H,1-4H3.
What are the key properties of 4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine?
4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 310.32 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxyethyl)phenyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 56701958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).