4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine

C7H7F3N2O — CID 123184175

IUPAC4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine
SMILESCOc1ncnc(C)c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c1-4-5(7(8,9)10)6(13-2)12-3-11-4/h3H,1-2H3
InChIKeyWEJCGISQBAKNQN-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.81
Rot. Bonds1

About 4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine

4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine (PubChem CID 123184175) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine
PubChem CID123184175
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine
SMILESCOc1ncnc(C)c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c1-4-5(7(8,9)10)6(13-2)12-3-11-4/h3H,1-2H3
InChIKeyWEJCGISQBAKNQN-UHFFFAOYSA-N
XLogP1.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine (CID 123184175) is 4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine is COc1ncnc(C)c1C(F)(F)F.
What is the InChIKey of 4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine?
The InChIKey is WEJCGISQBAKNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-4-5(7(8,9)10)6(13-2)12-3-11-4/h3H,1-2H3.
What are the key properties of 4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine?
4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 192.14 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 123184175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).