2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid

C21H17Cl2N3O6 — CID 130351642

IUPAC2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESCc1cccc(C)c1-n1c(O)c(C(=O)NCC(=O)O)c(=O)n(-c2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C21H17Cl2N3O6/c1-10-5-3-6-11(2)16(10)25-19(30)15(18(29)24-9-14(27)28)20(31)26(21(25)32)17-12(22)7-4-8-13(17)23/h3-8,30H,9H2,1-2H3,(H,24,29)(H,27,28)
InChIKeyPREIEJUPWSJOKO-UHFFFAOYSA-N
MW478.29 g/mol
LogP2.43
Rot. Bonds5

About 2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid

2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 130351642) has the molecular formula C21H17Cl2N3O6 and a molecular weight of 478.29 g/mol. Its IUPAC name is 2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
PubChem CID130351642
Molecular FormulaC21H17Cl2N3O6
Molecular Weight478.29 g/mol
Exact Mass477.05
IUPAC Name2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESCc1cccc(C)c1-n1c(O)c(C(=O)NCC(=O)O)c(=O)n(-c2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C21H17Cl2N3O6/c1-10-5-3-6-11(2)16(10)25-19(30)15(18(29)24-9-14(27)28)20(31)26(21(25)32)17-12(22)7-4-8-13(17)23/h3-8,30H,9H2,1-2H3,(H,24,29)(H,27,28)
InChIKeyPREIEJUPWSJOKO-UHFFFAOYSA-N
XLogP2.43
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.29
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24831198
2-[[1-benzyl-2-(2,6-dichlorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928996
2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid
CID 24831663
2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238190
2-[[5-(2,6-dichlorophenyl)-3-methyl-1,2-oxazole-4-carbonyl]amino]acetic acid
CID 139235662
2-[[1-benzyl-4-hydroxy-3-[(3-methoxyphenyl)methyl]-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24831505
2-[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-2,4-dioxo-3-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid
CID 24832001
2-[[1-[(2-chlorophenyl)methyl]-2-(2,6-dibromophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928891
2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 54749146
(4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
CID 67105909
2-[[1-[(2-chlorophenyl)methyl]-2-(2-chloro-6-phenylphenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928889
2-[[1-benzyl-4-hydroxy-3-[(3-isocyanophenyl)methyl]-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 59313200

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (CID 130351642) is 2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is Cc1cccc(C)c1-n1c(O)c(C(=O)NCC(=O)O)c(=O)n(-c2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of 2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is PREIEJUPWSJOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O6/c1-10-5-3-6-11(2)16(10)25-19(30)15(18(29)24-9-14(27)28)20(31)26(21(25)32)17-12(22)7-4-8-13(17)23/h3-8,30H,9H2,1-2H3,(H,24,29)(H,27,28).
What are the key properties of 2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 478.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 130351642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).