4,6-diphenylpyrimidine-2-carboxylic acid

C17H12N2O2 — CID 3978963

IUPAC4,6-diphenylpyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H12N2O2/c20-17(21)16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H,(H,20,21)
InChIKeyDEAYYMLJCJMWHG-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.51
Rot. Bonds3

About 4,6-diphenylpyrimidine-2-carboxylic acid

4,6-diphenylpyrimidine-2-carboxylic acid (PubChem CID 3978963) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4,6-diphenylpyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-diphenylpyrimidine-2-carboxylic acid
PubChem CID3978963
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name4,6-diphenylpyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H12N2O2/c20-17(21)16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H,(H,20,21)
InChIKeyDEAYYMLJCJMWHG-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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Related Compounds

4-Amino-2,6-diphenylpyrimidine
CID 619020
4,6-Diphenyl-2-pyrimidinecarbohydrazide
CID 781071
4-(3-Fluorophenyl)pyrimidine-2-carboxylic acid
CID 82661260
4-(3,4-Difluorophenyl)pyrimidine-2-carboxylic acid
CID 117523700
4-(3-Fluoro-4-methylphenyl)pyrimidine-2-carboxylic acid
CID 134137782
4-[3-(Carboxymethyl-amino)-propyl]-6-(3-trifluoromethylphenyl)-pyrimidine-2-carbonitrile
CID 52947078
4-(2,4-Difluorophenyl)pyrimidine-2-carboxylic acid
CID 116899750
4-(3-Methylphenyl)pyrimidine-2-carboxylic acid
CID 131479729
4-[3-(Trifluoromethyl)phenyl]pyrimidine-2-carboxylic acid
CID 134151332
4-[4-Fluoro-3-(trifluoromethyl)phenyl]pyrimidine-2-carboxylic acid
CID 134154503
2-Methoxy-4,6-diphenylpyrimidine
CID 647103
2-Methyl-4,6-diphenylpyrimidine
CID 817584

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenylpyrimidine-2-carboxylic acid?
The IUPAC name of 4,6-diphenylpyrimidine-2-carboxylic acid (CID 3978963) is 4,6-diphenylpyrimidine-2-carboxylic acid.
What is the SMILES notation for 4,6-diphenylpyrimidine-2-carboxylic acid?
The canonical SMILES for 4,6-diphenylpyrimidine-2-carboxylic acid is O=C(O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4,6-diphenylpyrimidine-2-carboxylic acid?
The InChIKey is DEAYYMLJCJMWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-17(21)16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H,(H,20,21).
What are the key properties of 4,6-diphenylpyrimidine-2-carboxylic acid?
4,6-diphenylpyrimidine-2-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 4,6-diphenylpyrimidine-2-carboxylic acid is sourced from PubChem (CID 3978963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).