2,4-diphenylpyrimidine-5-carboxylic acid

C17H12N2O2 — CID 1487224

IUPAC2,4-diphenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H12N2O2/c20-17(21)14-11-18-16(13-9-5-2-6-10-13)19-15(14)12-7-3-1-4-8-12/h1-11H,(H,20,21)
InChIKeyRSTIZKRDWDDGFJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.51
Rot. Bonds3

About 2,4-diphenylpyrimidine-5-carboxylic acid

2,4-diphenylpyrimidine-5-carboxylic acid (PubChem CID 1487224) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2,4-diphenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-diphenylpyrimidine-5-carboxylic acid
PubChem CID1487224
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name2,4-diphenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H12N2O2/c20-17(21)14-11-18-16(13-9-5-2-6-10-13)19-15(14)12-7-3-1-4-8-12/h1-11H,(H,20,21)
InChIKeyRSTIZKRDWDDGFJ-UHFFFAOYSA-N
XLogP3.51
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenylpyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-diphenylpyrimidine-5-carboxylic acid (CID 1487224) is 2,4-diphenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-diphenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-diphenylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2,4-diphenylpyrimidine-5-carboxylic acid?
The InChIKey is RSTIZKRDWDDGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-17(21)14-11-18-16(13-9-5-2-6-10-13)19-15(14)12-7-3-1-4-8-12/h1-11H,(H,20,21).
What are the key properties of 2,4-diphenylpyrimidine-5-carboxylic acid?
2,4-diphenylpyrimidine-5-carboxylic acid has a molecular weight of 276.30 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 1487224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).