2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine

C12H9F3N2O — CID 54264885

IUPAC2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(Oc2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H9F3N2O/c1-8-16-10(12(13,14)15)7-11(17-8)18-9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyYTZAMJMASVPTJX-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.60
Rot. Bonds2

About 2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine

2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine (PubChem CID 54264885) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine
PubChem CID54264885
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(Oc2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H9F3N2O/c1-8-16-10(12(13,14)15)7-11(17-8)18-9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyYTZAMJMASVPTJX-UHFFFAOYSA-N
XLogP3.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine (CID 54264885) is 2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine is Cc1nc(Oc2ccccc2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is YTZAMJMASVPTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-8-16-10(12(13,14)15)7-11(17-8)18-9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine?
2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 254.21 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 54264885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).