4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine

C23H16F2N2O2 — CID 3703106

IUPAC4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine
SMILESCc1ccc(Oc2cc(Oc3ccc(F)cc3F)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H16F2N2O2/c1-15-7-10-18(11-8-15)28-21-14-22(29-20-12-9-17(24)13-19(20)25)27-23(26-21)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyIOQXSTPXIHLFCB-UHFFFAOYSA-N
MW390.39 g/mol
LogP6.31
Rot. Bonds5

About 4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine

4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine (PubChem CID 3703106) has the molecular formula C23H16F2N2O2 and a molecular weight of 390.39 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine
PubChem CID3703106
Molecular FormulaC23H16F2N2O2
Molecular Weight390.39 g/mol
Exact Mass390.12
IUPAC Name4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine
SMILESCc1ccc(Oc2cc(Oc3ccc(F)cc3F)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H16F2N2O2/c1-15-7-10-18(11-8-15)28-21-14-22(29-20-12-9-17(24)13-19(20)25)27-23(26-21)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyIOQXSTPXIHLFCB-UHFFFAOYSA-N
XLogP6.31
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-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-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine?
The IUPAC name of 4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine (CID 3703106) is 4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine?
The canonical SMILES for 4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine is Cc1ccc(Oc2cc(Oc3ccc(F)cc3F)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine?
The InChIKey is IOQXSTPXIHLFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O2/c1-15-7-10-18(11-8-15)28-21-14-22(29-20-12-9-17(24)13-19(20)25)27-23(26-21)16-5-3-2-4-6-16/h2-14H,1H3.
What are the key properties of 4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine?
4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine has a molecular weight of 390.39 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-6-(4-methylphenoxy)-2-phenylpyrimidine is sourced from PubChem (CID 3703106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).