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

C25H20N4O5 — CID 68882385

IUPAC5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid
SMILESCn1c(-c2cccc(NC(=O)Nc3ccccc3-c3ccccc3)c2)nc(C(=O)O)c(O)c1=O
InChIInChI=1S/C25H20N4O5/c1-29-22(28-20(24(32)33)21(30)23(29)31)16-10-7-11-17(14-16)26-25(34)27-19-13-6-5-12-18(19)15-8-3-2-4-9-15/h2-14,30H,1H3,(H,32,33)(H2,26,27,34)
InChIKeyFJLKTIFYINPAQM-UHFFFAOYSA-N
MW456.46 g/mol
LogP4.16
Rot. Bonds5

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

5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid (PubChem CID 68882385) has the molecular formula C25H20N4O5 and a molecular weight of 456.46 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid
PubChem CID68882385
Molecular FormulaC25H20N4O5
Molecular Weight456.46 g/mol
Exact Mass456.14
IUPAC Name5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid
SMILESCn1c(-c2cccc(NC(=O)Nc3ccccc3-c3ccccc3)c2)nc(C(=O)O)c(O)c1=O
InChIInChI=1S/C25H20N4O5/c1-29-22(28-20(24(32)33)21(30)23(29)31)16-10-7-11-17(14-16)26-25(34)27-19-13-6-5-12-18(19)15-8-3-2-4-9-15/h2-14,30H,1H3,(H,32,33)(H2,26,27,34)
InChIKeyFJLKTIFYINPAQM-UHFFFAOYSA-N
XLogP4.16
TPSA133.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434305
5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434234
5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434346
5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid
CID 54711736
1-[2-(1-methylpyrazol-4-yl)phenyl]-3-phenylurea
CID 5111829
1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
1-(2-hydroxy-3-phenylphenyl)-3-(4-methoxyphenyl)urea
CID 21184692
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
2-[3-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid
CID 68883146
2-[3-[(2-chlorophenyl)methylcarbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434290
1-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(2-nitrophenyl)urea
CID 70940371
1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626924

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid (CID 68882385) is 5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid is Cn1c(-c2cccc(NC(=O)Nc3ccccc3-c3ccccc3)c2)nc(C(=O)O)c(O)c1=O.
What is the InChIKey of 5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid?
The InChIKey is FJLKTIFYINPAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O5/c1-29-22(28-20(24(32)33)21(30)23(29)31)16-10-7-11-17(14-16)26-25(34)27-19-13-6-5-12-18(19)15-8-3-2-4-9-15/h2-14,30H,1H3,(H,32,33)(H2,26,27,34).
What are the key properties of 5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid?
5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid has a molecular weight of 456.46 g/mol, XLogP of 4.16, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 68882385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).