4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine

C7H6F4N2O — CID 13379302

IUPAC4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(C)nc(F)c1C(F)(F)F
InChIInChI=1S/C7H6F4N2O/c1-3-12-5(8)4(7(9,10)11)6(13-3)14-2/h1-2H3
InChIKeyRDLMYHWIJLOSAJ-UHFFFAOYSA-N
MW210.13 g/mol
LogP1.95
Rot. Bonds1

About 4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine

4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine (PubChem CID 13379302) has the molecular formula C7H6F4N2O and a molecular weight of 210.13 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine
PubChem CID13379302
Molecular FormulaC7H6F4N2O
Molecular Weight210.13 g/mol
Exact Mass210.04
IUPAC Name4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(C)nc(F)c1C(F)(F)F
InChIInChI=1S/C7H6F4N2O/c1-3-12-5(8)4(7(9,10)11)6(13-3)14-2/h1-2H3
InChIKeyRDLMYHWIJLOSAJ-UHFFFAOYSA-N
XLogP1.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine (CID 13379302) is 4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine is COc1nc(C)nc(F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine?
The InChIKey is RDLMYHWIJLOSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O/c1-3-12-5(8)4(7(9,10)11)6(13-3)14-2/h1-2H3.
What are the key properties of 4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine?
4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 210.13 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 13379302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).