4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine

C12H9F3N2O — CID 155969730

IUPAC4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1ncncc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9F3N2O/c1-18-11-10(6-16-7-17-11)8-2-4-9(5-3-8)12(13,14)15/h2-7H,1H3
InChIKeyCWYZDDJRBNJVBP-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.17
Rot. Bonds2

About 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine

4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 155969730) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID155969730
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1ncncc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9F3N2O/c1-18-11-10(6-16-7-17-11)8-2-4-9(5-3-8)12(13,14)15/h2-7H,1H3
InChIKeyCWYZDDJRBNJVBP-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine (CID 155969730) is 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine is COc1ncncc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is CWYZDDJRBNJVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-18-11-10(6-16-7-17-11)8-2-4-9(5-3-8)12(13,14)15/h2-7H,1H3.
What are the key properties of 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine?
4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 254.21 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 155969730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).