2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid

C26H21N3O5 — CID 135929042

IUPAC2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)nc(-c2ccccc2-c2ccccc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C26H21N3O5/c30-21(31)15-27-24(32)22-25(33)28-23(29(26(22)34)16-17-9-3-1-4-10-17)20-14-8-7-13-19(20)18-11-5-2-6-12-18/h1-14,33H,15-16H2,(H,27,32)(H,30,31)
InChIKeyTZFSSMRUULLNHM-UHFFFAOYSA-N
MW455.47 g/mol
LogP3.15
Rot. Bonds7

About 2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid

2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 135929042) has the molecular formula C26H21N3O5 and a molecular weight of 455.47 g/mol. Its IUPAC name is 2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid
PubChem CID135929042
Molecular FormulaC26H21N3O5
Molecular Weight455.47 g/mol
Exact Mass455.15
IUPAC Name2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)nc(-c2ccccc2-c2ccccc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C26H21N3O5/c30-21(31)15-27-24(32)22-25(33)28-23(29(26(22)34)16-17-9-3-1-4-10-17)20-14-8-7-13-19(20)18-11-5-2-6-12-18/h1-14,33H,15-16H2,(H,27,32)(H,30,31)
InChIKeyTZFSSMRUULLNHM-UHFFFAOYSA-N
XLogP3.15
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[1-benzyl-2-(2,6-dichlorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928996
2-[[1-[(2-chlorophenyl)methyl]-2-(2-chloro-6-phenylphenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928889
2-[[1-[(2-chlorophenyl)methyl]-2-(2,6-dibromophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928891
2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid
CID 24831663
2-[(1-benzyl-4,6,7-trihydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 54685179
2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 54749146
2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid
CID 54741193
2-[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-2,4-dioxo-3-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid
CID 24832001
2-[3-benzyl-5-chloro-2-(2-hydroxyphenyl)imidazol-4-yl]acetic acid
CID 136888510
2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid
CID 54738396
2-[[6-(4-chlorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid
CID 54739155
2-[2-(2-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid
CID 13075860

Frequently Asked Questions

What is the IUPAC name of 2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid (CID 135929042) is 2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)nc(-c2ccccc2-c2ccccc2)n(Cc2ccccc2)c1=O.
What is the InChIKey of 2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is TZFSSMRUULLNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5/c30-21(31)15-27-24(32)22-25(33)28-23(29(26(22)34)16-17-9-3-1-4-10-17)20-14-8-7-13-19(20)18-11-5-2-6-12-18/h1-14,33H,15-16H2,(H,27,32)(H,30,31).
What are the key properties of 2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid?
2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 455.47 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 135929042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).