methyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate

C13H11N3O4 — CID 108798636

IUPACmethyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C13H11N3O4/c1-20-12(18)9-5-3-2-4-8(9)11(17)15-10-6-7-14-13(19)16-10/h2-7H,1H3,(H2,14,15,16,17,19)
InChIKeyPYPUMFOFGHUUEL-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.81
Rot. Bonds3

About methyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate

methyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate (PubChem CID 108798636) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is methyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate
PubChem CID108798636
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Namemethyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C13H11N3O4/c1-20-12(18)9-5-3-2-4-8(9)11(17)15-10-6-7-14-13(19)16-10/h2-7H,1H3,(H2,14,15,16,17,19)
InChIKeyPYPUMFOFGHUUEL-UHFFFAOYSA-N
XLogP0.81
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]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

3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
CID 69002184
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide
CID 108807771
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
methyl 2-oxo-1H-quinazoline-5-carboxylate
CID 174971461
methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
CID 108785438
isocyanic acid;(2-oxo-1H-pyrimidin-6-yl)urea
CID 87278758
N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide
CID 154512190
methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 108785394
methyl 2-(tert-butylcarbamoyl)benzoate
CID 108785469
methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170596

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate?
The IUPAC name of methyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate (CID 108798636) is methyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate is COC(=O)c1ccccc1C(=O)Nc1ccnc(=O)[nH]1.
What is the InChIKey of methyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate?
The InChIKey is PYPUMFOFGHUUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-20-12(18)9-5-3-2-4-8(9)11(17)15-10-6-7-14-13(19)16-10/h2-7H,1H3,(H2,14,15,16,17,19).
What are the key properties of methyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate?
methyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate has a molecular weight of 273.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]benzoate is sourced from PubChem (CID 108798636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).