2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine

C13H13FN2O — CID 138713669

IUPAC2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine
SMILESCCc1cccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C13H13FN2O/c1-3-9-5-4-6-11(12(9)17-2)13-15-7-10(14)8-16-13/h4-8H,3H2,1-2H3
InChIKeyPKKSVSOJIOKILE-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.85
Rot. Bonds3

About 2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine

2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine (PubChem CID 138713669) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine
PubChem CID138713669
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine
SMILESCCc1cccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C13H13FN2O/c1-3-9-5-4-6-11(12(9)17-2)13-15-7-10(14)8-16-13/h4-8H,3H2,1-2H3
InChIKeyPKKSVSOJIOKILE-UHFFFAOYSA-N
XLogP2.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine?
The IUPAC name of 2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine (CID 138713669) is 2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine.
What is the SMILES notation for 2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine?
The canonical SMILES for 2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine is CCc1cccc(-c2ncc(F)cn2)c1OC.
What is the InChIKey of 2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine?
The InChIKey is PKKSVSOJIOKILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-3-9-5-4-6-11(12(9)17-2)13-15-7-10(14)8-16-13/h4-8H,3H2,1-2H3.
What are the key properties of 2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine?
2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine has a molecular weight of 232.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine is sourced from PubChem (CID 138713669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).