4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine

C17H13FN2O2 — CID 1491523

IUPAC4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine
SMILESCOc1cnc(-c2ccccc2)nc1Oc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2/c1-21-15-11-19-16(12-5-3-2-4-6-12)20-17(15)22-14-9-7-13(18)8-10-14/h2-11H,1H3
InChIKeyJTZRRIKAKHFHMA-UHFFFAOYSA-N
MW296.30 g/mol
LogP4.08
Rot. Bonds4

About 4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine

4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine (PubChem CID 1491523) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine
PubChem CID1491523
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine
SMILESCOc1cnc(-c2ccccc2)nc1Oc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2/c1-21-15-11-19-16(12-5-3-2-4-6-12)20-17(15)22-14-9-7-13(18)8-10-14/h2-11H,1H3
InChIKeyJTZRRIKAKHFHMA-UHFFFAOYSA-N
XLogP4.08
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine (CID 1491523) is 4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine is COc1cnc(-c2ccccc2)nc1Oc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine?
The InChIKey is JTZRRIKAKHFHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-21-15-11-19-16(12-5-3-2-4-6-12)20-17(15)22-14-9-7-13(18)8-10-14/h2-11H,1H3.
What are the key properties of 4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine?
4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine has a molecular weight of 296.30 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-5-methoxy-2-phenylpyrimidine is sourced from PubChem (CID 1491523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).