5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid

C24H18N4O5 — CID 135434305

IUPAC5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(Nc1cccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H18N4O5/c29-20-19(23(31)32)27-21(28-22(20)30)15-9-6-10-16(13-15)25-24(33)26-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13,29H,(H,31,32)(H2,25,26,33)(H,27,28,30)
InChIKeyGJPPMJBSXVQWLL-UHFFFAOYSA-N
MW442.43 g/mol
LogP4.15
Rot. Bonds5

About 5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid

5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434305) has the molecular formula C24H18N4O5 and a molecular weight of 442.43 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
PubChem CID135434305
Molecular FormulaC24H18N4O5
Molecular Weight442.43 g/mol
Exact Mass442.13
IUPAC Name5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(Nc1cccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H18N4O5/c29-20-19(23(31)32)27-21(28-22(20)30)15-9-6-10-16(13-15)25-24(33)26-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13,29H,(H,31,32)(H2,25,26,33)(H,27,28,30)
InChIKeyGJPPMJBSXVQWLL-UHFFFAOYSA-N
XLogP4.15
TPSA144.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 54.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434346
5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434234
2-[3-[(2-chlorophenyl)methylcarbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434290
5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid
CID 68882385
2-[3-[(4-fluoro-3-nitrophenyl)carbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434331
2-[3-(benzhydrylcarbamoylamino)phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid;methyl 2-(3-aminophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate;methyl 2-[3-(benzhydrylcarbamoylamino)phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 158003989
5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434228
5-hydroxy-2-[2-[(3-nitrobenzoyl)amino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434268
5-hydroxy-6-oxo-2-[2-[[2-(trifluoromethyl)phenyl]methylcarbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434189
2-[2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434250
1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid (CID 135434305) is 5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid is O=C(Nc1cccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid?
The InChIKey is GJPPMJBSXVQWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O5/c29-20-19(23(31)32)27-21(28-22(20)30)15-9-6-10-16(13-15)25-24(33)26-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13,29H,(H,31,32)(H2,25,26,33)(H,27,28,30).
What are the key properties of 5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid has a molecular weight of 442.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).