4-(3-fluorophenyl)-6-methoxypyrimidine

C11H9FN2O — CID 609361

IUPAC4-(3-fluorophenyl)-6-methoxypyrimidine
SMILESCOc1cc(-c2cccc(F)c2)ncn1
InChIInChI=1S/C11H9FN2O/c1-15-11-6-10(13-7-14-11)8-3-2-4-9(12)5-8/h2-7H,1H3
InChIKeyHRLQGXQHZGPTEA-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.29
Rot. Bonds2

About 4-(3-fluorophenyl)-6-methoxypyrimidine

4-(3-fluorophenyl)-6-methoxypyrimidine (PubChem CID 609361) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-6-methoxypyrimidine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-6-methoxypyrimidine
PubChem CID609361
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name4-(3-fluorophenyl)-6-methoxypyrimidine
SMILESCOc1cc(-c2cccc(F)c2)ncn1
InChIInChI=1S/C11H9FN2O/c1-15-11-6-10(13-7-14-11)8-3-2-4-9(12)5-8/h2-7H,1H3
InChIKeyHRLQGXQHZGPTEA-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-6-methoxypyrimidine?
The IUPAC name of 4-(3-fluorophenyl)-6-methoxypyrimidine (CID 609361) is 4-(3-fluorophenyl)-6-methoxypyrimidine.
What is the SMILES notation for 4-(3-fluorophenyl)-6-methoxypyrimidine?
The canonical SMILES for 4-(3-fluorophenyl)-6-methoxypyrimidine is COc1cc(-c2cccc(F)c2)ncn1.
What is the InChIKey of 4-(3-fluorophenyl)-6-methoxypyrimidine?
The InChIKey is HRLQGXQHZGPTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-15-11-6-10(13-7-14-11)8-3-2-4-9(12)5-8/h2-7H,1H3.
What are the key properties of 4-(3-fluorophenyl)-6-methoxypyrimidine?
4-(3-fluorophenyl)-6-methoxypyrimidine has a molecular weight of 204.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-6-methoxypyrimidine is sourced from PubChem (CID 609361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).