5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine

C7H7F3N2O — CID 23198178

IUPAC5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCc1cncnc1OCC(F)(F)F
InChIInChI=1S/C7H7F3N2O/c1-5-2-11-4-12-6(5)13-3-7(8,9)10/h2,4H,3H2,1H3
InChIKeyBKWFUMCMYLBUAG-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.73
Rot. Bonds2

About 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine

5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 23198178) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID23198178
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCc1cncnc1OCC(F)(F)F
InChIInChI=1S/C7H7F3N2O/c1-5-2-11-4-12-6(5)13-3-7(8,9)10/h2,4H,3H2,1H3
InChIKeyBKWFUMCMYLBUAG-UHFFFAOYSA-N
XLogP1.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine (CID 23198178) is 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine is Cc1cncnc1OCC(F)(F)F.
What is the InChIKey of 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is BKWFUMCMYLBUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-5-2-11-4-12-6(5)13-3-7(8,9)10/h2,4H,3H2,1H3.
What are the key properties of 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 192.14 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 23198178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).