4-phenoxy-2-phenylpyrimidine-5-carboxylic acid

C17H12N2O3 — CID 1474633

IUPAC4-phenoxy-2-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)nc1Oc1ccccc1
InChIInChI=1S/C17H12N2O3/c20-17(21)14-11-18-15(12-7-3-1-4-8-12)19-16(14)22-13-9-5-2-6-10-13/h1-11H,(H,20,21)
InChIKeyBXPBQGOKPVBXOE-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.63
Rot. Bonds4

About 4-phenoxy-2-phenylpyrimidine-5-carboxylic acid

4-phenoxy-2-phenylpyrimidine-5-carboxylic acid (PubChem CID 1474633) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-phenoxy-2-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-phenoxy-2-phenylpyrimidine-5-carboxylic acid
PubChem CID1474633
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name4-phenoxy-2-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)nc1Oc1ccccc1
InChIInChI=1S/C17H12N2O3/c20-17(21)14-11-18-15(12-7-3-1-4-8-12)19-16(14)22-13-9-5-2-6-10-13/h1-11H,(H,20,21)
InChIKeyBXPBQGOKPVBXOE-UHFFFAOYSA-N
XLogP3.63
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenoxy-2-phenylpyrimidine-5-carboxylic acid 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-phenoxy-2-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-phenoxy-2-phenylpyrimidine-5-carboxylic acid (CID 1474633) is 4-phenoxy-2-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-phenoxy-2-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-phenoxy-2-phenylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccccc2)nc1Oc1ccccc1.
What is the InChIKey of 4-phenoxy-2-phenylpyrimidine-5-carboxylic acid?
The InChIKey is BXPBQGOKPVBXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-17(21)14-11-18-15(12-7-3-1-4-8-12)19-16(14)22-13-9-5-2-6-10-13/h1-11H,(H,20,21).
What are the key properties of 4-phenoxy-2-phenylpyrimidine-5-carboxylic acid?
4-phenoxy-2-phenylpyrimidine-5-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 1474633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).