4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine

C11H11FN2O — CID 164648918

IUPAC4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine
SMILESCCc1cc(F)nc(-c2ccoc2C)n1
InChIInChI=1S/C11H11FN2O/c1-3-8-6-10(12)14-11(13-8)9-4-5-15-7(9)2/h4-6H,3H2,1-2H3
InChIKeyXZERPTQTUGRVNA-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.75
Rot. Bonds2

About 4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine

4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine (PubChem CID 164648918) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine.

Molecular Properties

Compound Name4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine
PubChem CID164648918
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine
SMILESCCc1cc(F)nc(-c2ccoc2C)n1
InChIInChI=1S/C11H11FN2O/c1-3-8-6-10(12)14-11(13-8)9-4-5-15-7(9)2/h4-6H,3H2,1-2H3
InChIKeyXZERPTQTUGRVNA-UHFFFAOYSA-N
XLogP2.75
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine?
The IUPAC name of 4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine (CID 164648918) is 4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine.
What is the SMILES notation for 4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine?
The canonical SMILES for 4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine is CCc1cc(F)nc(-c2ccoc2C)n1.
What is the InChIKey of 4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine?
The InChIKey is XZERPTQTUGRVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-3-8-6-10(12)14-11(13-8)9-4-5-15-7(9)2/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine?
4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine has a molecular weight of 206.22 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-fluoro-2-(2-methylfuran-3-yl)pyrimidine is sourced from PubChem (CID 164648918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).