5-fluoro-4-(2-methylphenoxy)pyrimidine

C11H9FN2O — CID 91240262

IUPAC5-fluoro-4-(2-methylphenoxy)pyrimidine
SMILESCc1ccccc1Oc1ncncc1F
InChIInChI=1S/C11H9FN2O/c1-8-4-2-3-5-10(8)15-11-9(12)6-13-7-14-11/h2-7H,1H3
InChIKeyUKJWPAYAUXLKOT-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.72
Rot. Bonds2

About 5-fluoro-4-(2-methylphenoxy)pyrimidine

5-fluoro-4-(2-methylphenoxy)pyrimidine (PubChem CID 91240262) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 5-fluoro-4-(2-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-(2-methylphenoxy)pyrimidine
PubChem CID91240262
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name5-fluoro-4-(2-methylphenoxy)pyrimidine
SMILESCc1ccccc1Oc1ncncc1F
InChIInChI=1S/C11H9FN2O/c1-8-4-2-3-5-10(8)15-11-9(12)6-13-7-14-11/h2-7H,1H3
InChIKeyUKJWPAYAUXLKOT-UHFFFAOYSA-N
XLogP2.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-methylphenoxy)pyrimidine?
The IUPAC name of 5-fluoro-4-(2-methylphenoxy)pyrimidine (CID 91240262) is 5-fluoro-4-(2-methylphenoxy)pyrimidine.
What is the SMILES notation for 5-fluoro-4-(2-methylphenoxy)pyrimidine?
The canonical SMILES for 5-fluoro-4-(2-methylphenoxy)pyrimidine is Cc1ccccc1Oc1ncncc1F.
What is the InChIKey of 5-fluoro-4-(2-methylphenoxy)pyrimidine?
The InChIKey is UKJWPAYAUXLKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-8-4-2-3-5-10(8)15-11-9(12)6-13-7-14-11/h2-7H,1H3.
What are the key properties of 5-fluoro-4-(2-methylphenoxy)pyrimidine?
5-fluoro-4-(2-methylphenoxy)pyrimidine has a molecular weight of 204.20 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-methylphenoxy)pyrimidine is sourced from PubChem (CID 91240262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).