methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate

C13H11N3O5 — CID 9396061

IUPACmethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C13H11N3O5/c1-21-12(19)7-2-4-8(5-3-7)14-11(18)9-6-10(17)16-13(20)15-9/h2-6H,1H3,(H,14,18)(H2,15,16,17,20)
InChIKeyBGDUBPDTMRHGEO-UHFFFAOYSA-N
MW289.25 g/mol
LogP0.10
Rot. Bonds3

About methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate

methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate (PubChem CID 9396061) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
PubChem CID9396061
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC Namemethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C13H11N3O5/c1-21-12(19)7-2-4-8(5-3-7)14-11(18)9-6-10(17)16-13(20)15-9/h2-6H,1H3,(H,14,18)(H2,15,16,17,20)
InChIKeyBGDUBPDTMRHGEO-UHFFFAOYSA-N
XLogP0.10
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698333
methyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoate
CID 43406982
N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698301
methyl 4-chloro-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
CID 110698334
N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60636479
N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 46989148
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate (CID 9396061) is methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate?
The InChIKey is BGDUBPDTMRHGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c1-21-12(19)7-2-4-8(5-3-7)14-11(18)9-6-10(17)16-13(20)15-9/h2-6H,1H3,(H,14,18)(H2,15,16,17,20).
What are the key properties of methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate?
methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate has a molecular weight of 289.25 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate is sourced from PubChem (CID 9396061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).