ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate

C16H18N4O5 — CID 16654015

IUPACethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C16H18N4O5/c1-4-25-15(23)9-5-7-10(8-6-9)18-13(21)11-12(17)19(2)16(24)20(3)14(11)22/h5-8H,4,17H2,1-3H3,(H,18,21)
InChIKeyPPMNKMXUHYZQCF-UHFFFAOYSA-N
MW346.34 g/mol
LogP0.10
Rot. Bonds4

About ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate

ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate (PubChem CID 16654015) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate
PubChem CID16654015
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Nameethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C16H18N4O5/c1-4-25-15(23)9-5-7-10(8-6-9)18-13(21)11-12(17)19(2)16(24)20(3)14(11)22/h5-8H,4,17H2,1-3H3,(H,18,21)
InChIKeyPPMNKMXUHYZQCF-UHFFFAOYSA-N
XLogP0.10
TPSA125.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-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

ethyl 4-[(6-amino-1-methyl-2,4-dioxopyrimidine-5-carbonyl)amino]benzoate
CID 16654016
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-[(4-nitrobenzoyl)amino]benzoate
CID 744546
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-chlorobenzoate
CID 2360817
ethyl 4-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 2458963
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
ethyl 4-[(4-amino-3-nitrobenzoyl)amino]benzoate
CID 8885571

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate (CID 16654015) is ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate?
The InChIKey is PPMNKMXUHYZQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5/c1-4-25-15(23)9-5-7-10(8-6-9)18-13(21)11-12(17)19(2)16(24)20(3)14(11)22/h5-8H,4,17H2,1-3H3,(H,18,21).
What are the key properties of ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate?
ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate has a molecular weight of 346.34 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoate is sourced from PubChem (CID 16654015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).