ethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate

C15H16N4O5 — CID 16654016

IUPACethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c(N)n(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H16N4O5/c1-3-24-14(22)8-4-6-9(7-5-8)17-12(20)10-11(16)19(2)15(23)18-13(10)21/h4-7H,3,16H2,1-2H3,(H,17,20)(H,18,21,23)
InChIKeyYFSZKGKXQGJZTO-UHFFFAOYSA-N
MW332.32 g/mol
LogP0.08
Rot. Bonds4

About ethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate

ethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate (PubChem CID 16654016) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is ethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate
PubChem CID16654016
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Nameethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c(N)n(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H16N4O5/c1-3-24-14(22)8-4-6-9(7-5-8)17-12(20)10-11(16)19(2)15(23)18-13(10)21/h4-7H,3,16H2,1-2H3,(H,17,20)(H,18,21,23)
InChIKeyYFSZKGKXQGJZTO-UHFFFAOYSA-N
XLogP0.08
TPSA136.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate with MolForge

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Related Compounds

ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate
CID 16654015
[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] pyridine-4-carboxylate
CID 7696198
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61112295
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
CID 28748768
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 29204718
ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate
CID 110695822
ethyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 744546
ethyl 4-[(4-ethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 4165372
ethyl 4-[(4-chloro-2,6-dimethylpyridine-3-carbonyl)amino]benzoate;hydrochloride
CID 24747029
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate (CID 16654016) is ethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2c(N)n(C)c(=O)[nH]c2=O)cc1.
What is the InChIKey of ethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate?
The InChIKey is YFSZKGKXQGJZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-3-24-14(22)8-4-6-9(7-5-8)17-12(20)10-11(16)19(2)15(23)18-13(10)21/h4-7H,3,16H2,1-2H3,(H,17,20)(H,18,21,23).
What are the key properties of ethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate?
ethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate has a molecular weight of 332.32 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate is sourced from PubChem (CID 16654016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).