trisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate

C12H6N3Na3O7 — CID 140796832

IUPACtrisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate
SMILESO=C([O-])c1cc(NC(=O)c2c([O-])[nH]c(=O)[nH]c2=O)ccc1[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C12H9N3O7.3Na/c16-6-2-1-4(3-5(6)11(20)21)13-8(17)7-9(18)14-12(22)15-10(7)19;;;/h1-3,16H,(H,13,17)(H,20,21)(H3,14,15,18,19,22);;;/q;3*+1/p-3
InChIKeyYUHLIGFOVPXVNF-UHFFFAOYSA-K
MW373.16 g/mol
LogP-12.16
Rot. Bonds3

About trisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate

trisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate (PubChem CID 140796832) has the molecular formula C12H6N3Na3O7 and a molecular weight of 373.16 g/mol. Its IUPAC name is trisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Nametrisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate
PubChem CID140796832
Molecular FormulaC12H6N3Na3O7
Molecular Weight373.16 g/mol
Exact Mass372.99
IUPAC Nametrisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate
SMILESO=C([O-])c1cc(NC(=O)c2c([O-])[nH]c(=O)[nH]c2=O)ccc1[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C12H9N3O7.3Na/c16-6-2-1-4(3-5(6)11(20)21)13-8(17)7-9(18)14-12(22)15-10(7)19;;;/h1-3,16H,(H,13,17)(H,20,21)(H3,14,15,18,19,22);;;/q;3*+1/p-3
InChIKeyYUHLIGFOVPXVNF-UHFFFAOYSA-K
XLogP-12.16
TPSA181.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.16
LogP ≤ 5-12.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze trisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydroxy-2,4-dioxo-N-(2-oxo-1H-pyridin-4-yl)-1H-pyrimidine-5-carboxamide
CID 118313500
6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 123458521
6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 140796838
4-[(2-carboxy-6-nitrobenzoyl)amino]-2-oxidobenzoate
CID 54707581
5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid
CID 120528938
2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid
CID 122423584
sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate
CID 102504156
4,6-dioxidobenzene-1,3-dicarboxylate
CID 140752440
disodium;(3S)-3-amino-4-(3-carboxy-4-oxidoanilino)-4-oxobutanoate
CID 54728401
2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate
CID 54714318
N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 134533754
4-[(4-chlorophenyl)carbamoyl]-1-oxo-2H-isoquinolin-3-olate
CID 134125080

Frequently Asked Questions

What is the IUPAC name of trisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate?
The IUPAC name of trisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate (CID 140796832) is trisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate.
What is the SMILES notation for trisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate?
The canonical SMILES for trisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate is O=C([O-])c1cc(NC(=O)c2c([O-])[nH]c(=O)[nH]c2=O)ccc1[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate?
The InChIKey is YUHLIGFOVPXVNF-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H9N3O7.3Na/c16-6-2-1-4(3-5(6)11(20)21)13-8(17)7-9(18)14-12(22)15-10(7)19;;;/h1-3,16H,(H,13,17)(H,20,21)(H3,14,15,18,19,22);;;/q;3*+1/p-3.
What are the key properties of trisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate?
trisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate has a molecular weight of 373.16 g/mol, XLogP of -12.16, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate is sourced from PubChem (CID 140796832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).